Crystal of human interferon alpha 2B in complex with zinc

ABSTRACT

This application covers a novel PEGylated interferon and a novel crystalline form of interferon which are useful, inter alia, for detailed structural analysis of interferon as well as treatment and prevention of viral infections and hyperproliferative diseases such as leukemia.

This application claims the benefit of U.S. provisional patent application No. 60/849,520, filed Oct. 5, 2006; which is herein incorporated by reference in its entirety.

FIELD OF THE INVENTION

The present application relates to interferon polypeptide compositions

BACKGROUND OF THE INVENTION

The human interferon alphas are a family of proteins comprising at least 24 subspecies, Zoon K. C, Interferon 9:1-12 (1987), Gresser I., ed. Academic Press, New York. They were originally described as agents capable of inducing an anti-viral state in cells but are known as pleitropic lymphokines affecting many functions of the immune system, Opdenakker, et al., Expermentia 45: 513-520 (1989). Apart from their in vitro biological activities, the human interferon alphas are currently used for several indications, e.g., hairy cell leukemia, Kaposi Sarcoma, venereal warts, hepatitis B and hepatitis C.

Presently, interferon is administered to patients by injection. Injection suffers from several drawbacks including pain and poor patient compliance. An alternative mode of administration of interferon or PEG-interferon would be beneficial.

Macromolecules have limited modes of administration. Transdermal or oral delivery is difficult because of their sheer size which usually has a molecular weight greater than 7,000 KDa, and instability in the gastrointestinal environment. In general, protein drugs are administered either by subcutaneous or intravenous injection usually in hospital or clinical settings. Proteins having a molecular weight less than 30,000 have serum half-lives duration of hours when injected subcutaneously or intravenously and characteristically show a “burst” (rapid blood serum clearance rate) profile when blood levels are measured over time. There is increasing awareness that drug release patterns (continuous versus pulsatile) significantly affect therapeutic responses.

Pulmonary delivery of a crystalline interferon alpha has been described previously (U.S. Pat. No. 5,972,331). The patent describes a method for preparing a crystalline interferon alpha suitable for aerosol formulation either for systemic or topical (inhaled) drug delivery.

There remains a need in the art for high quality, highly ordered interferon crystals that are particularly useful for pulmonary delivery or delivery in a sustained release formulation. A Zn²⁺ mediated interferon alpha 2b dimeric crystal was produced previously (see Radhakrishnan et al., Structure. 4(12):1453-63 (1996); see also U.S. Pat. No. 5,441,734 to Reichert et al.); however, interferon structural data gained from the prior art crystals, was only to a 2.7 Å or 2.9 Å resolution.

Due to the ongoing strong scientific interest in understanding interferon and its properties, there is also an interest in obtaining crystals which are of superior quality and particularly useful for interferon structural determination.

SUMMARY OF THE INVENTION

The present invention provides a complex comprising an interferon alpha 2 dimer complexed with a divalent cation wherein said interferon is chemically modified with a half-life extending moiety wherein less than 50% of said moieties are on His 34. In an embodiment of the invention, about 0% of said moieties are on His 34. In an embodiment of the invention, more than 50% of said moieties are on Lys 49, Lys 121, Lys 31, His 7 and Cys 1. In an embodiment of the invention about 100% of said moieties are on Lys 49, Lys 121, Lys 31, His 7 and Cys 1. In an embodiment of the invention, said interferon is interferon alpha 2b (e.g., SEQ ID NO:1). In an embodiment of the invention, the complex is crystalline (e.g., which belongs to space group C2 or space group P2₁). In an embodiment of the invention, the crystal diffracts X-rays to about 2 Å resolution.

In an embodiment of the invention, the crystal belongs to space group P2₁ and diffracts X-rays to about 1.95 Å resolution.

The present invention provides a crystalline composition comprising comprising a complex of interferon-a2b-Zn²⁺-interferon-a2b or a structural homologue thereof, wherein the complex three dimensional structure is characterized by structural coordinates comprising a root mean square deviation of common residue backbone atoms or alpha carbon atoms of less than about 1.5 Å when superimposed on backbone atoms or alpha carbon atoms described by structural coordinates of Table 3 or 4. In an embodiment of the invention, the composition comprises an interferon alpha 2b dimer complexed with Zn²⁺ wherein said crystal belongs to C2 space group. In an embodiment of the invention, the crystal diffracts X-rays to a 2 Å resolution.

The present invention provides, a crystalline composition comprising an interferon alpha 2b dimer complexed with Zn²⁺ wherein said crystal belongs to P2₁ space group and diffracts X-rays to about 1.95 Å resolution. In an embodiment of the invention, the crystal belongs to space group P2₁ comprising unit cell parameters a=62.2 Å, b=75.3 Å, c=149.2 Å and β=91.4°. In an embodiment of the invention, the crystal belongs to space group C2 comprising unit cell parameters a=114.7 Å, b=98.4 Å, c=62.4 Å and β=93.9°. In an embodiment of the invention, said crystal comprises a particle diameter of from about 1 μm to about 70 μm or from about 0.5 μm to about 7 μm.

The present invention also provides a pharmaceutical composition (e.g., sustained release formulation or a composition suitable for pulmonary delivery such as a dry powder) comprising any of the foregoing compositions and a pharmaceutically acceptable carrier. Also provided is an injectable device comprising the pharmaceutical composition. The present invention also provides a pharmaceutical composition of the invention in an inhaler.

The present invention also provides a method for producing a complex comprising an interferon alpha 2 dimer bound to a divalent cation wherein said interferon is chemically modified with a half-life extending moiety wherein less than 50% of said moieties are on His 34 comprising

-   -   (1) expressing the interferon polypeptide in a bacterial cell;     -   (2) isolating a soluble fraction comprising the polypeptide from         said cell;     -   (3) chromatographically purifying said polypeptide from said         soluble fraction by cation exchange chromatography, weak anion         exchange chromatography and cibacron Blue 3G chromatography;     -   (4) dialyzing said polypeptide against distilled water; and     -   (5) PEGylating said polypeptide.         Any complex produced by such a method is also part of the         present invention along with any pharmaceutical composition         thererof.

The present invention also provides a method for treating a host infected with a virus which is a member of the Flaviviridae family of viruses (e.g., hepatitis C virus) or preventing the infection by such a virus or for treating or preventing a hyperproliferative disease (e.g., leukemia), comprising administering (e.g., a sustained-release formuation or by inhalation) to said host a therapeutically effective amount of any of the interferon compositions set forth herein (e.g., crystalline compositions).

The present invention also provides a method for producing a complex comprising an interferon alpha 2 dimer bound to a divalent cation such as Zn²⁺ comprising the steps of expressing the interferon polypeptide in a bacterial cell (e.g., E. coli, e.g., HB101); and isolating a soluble fraction comprising the interferon polypeptide from said cell (e.g., by the acidification and neutralization procedure of Liebowitz et al., U.S. Pat. No. 4,315,852 (discussed below)); optionally chromatographically purifying said polypeptide from said soluble fraction by standard chromatography steps such as cation exchange chromatography, weak anion exchange chromatography and cibacron Blue 3G chromatography (e.g., in that order), optionally dialyzing said polypeptide against distilled water and optionally dessicating or lyophilizing to a powder. In an embodiment of the invention, the Liebowitz extraction process mentioned above comprises the steps of acidifying the suspension of interferon-containing bacterial cells (e.g., with sulfuric acid or phosphoric acid, e.g., to pH of about 1.3-4.0 or 2.0-2.5), removing substantially all of the suspension liquid from the cells, preparing a second suspension of the acidified cells, neutralizing said second suspension (e.g., with potassium hydroxide or sodium hydroxide, e.g., to a pH of about 7.0-8.0 or 7.2-7.6), separating the interferon containing liquid from the suspended cells, and extracting the interferon from said liquid. Any product of such a method is with the scope of the present invention.

BRIEF DESCRIPTION OF THE FIGURES

FIG. 1. Photomicrograph of crystals derived from flight based experiment at 70× magnification; Flight bottle #285.

FIG. 2. Photomicrograph of crystals derived from ground based experiment at 70× magnification; Ground bottle # G-III-7.

DETAILED DESCRIPTION OF THE INVENTION

The present invention comprises a novel crystal form of a zinc-interferon complex and a method for preparation of a crystalline interferon suspension. The interferon crystals of the present invention are highly ordered and of superior quality for therapeutic uses as well as for structural determination. The highly ordered structure is evidenced by the ability of the crystals of the invention to provide interferon structural data at a high resolution. The highly ordered structure of the crystals of the present invention make them particularly suitable for formulation in a sustained release formulation or for pulmonary delivery. X-ray crystallographic structures derived from these crystals have produced structures of interferon far better than any previous published reports. The work set forth herein produced crystals which belong to space group P2₁ which is the same space group as previously published in Radhardisrishnan, et al. Structure 4(12): 1453-1463 (1996). However, the crystal of the present invention led to the generation of a surprisingly high resolution structure (1.95 Å)—the previously developed crystal led to generation of only a 2.95 Å resolution structure.

Moreover, the work set forth herein produced an additional new crystal form-space group C2-which also diffracted beyond 2 Å resolution.

As stated above, the high quality structures obtained with the crystals of the present invention are also particularly useful because they allowed for determination of structural features of interferon not visible by the available, published lower quality structures. The availability of exceptionally high quality structural data relating to interferon aids in the understanding of the intermolecular interactions between interferon and other molecules and to the development of inhibitors and enhancers thereof as well as the development of modified interferon molecules possessing superior activity (e.g., anti-viral activity).

The present invention also provides Zn²⁺ complexed interferon dimers and methods of production thereof. The dimers of the invention are useful, for example, in the treatment or prevention of viral infection as well as for the production of chemically modified (e.g., PEGylated) interferon which is modified preferentially on exposed amino acid residues. The dimerized, Zn²⁺ complexed interferon of the invention is particularly suitable for the generation of a PEGylated version of the molecule since its natural state is a dimer. In an embodiment of the invention, the origin of Zn²⁺ in the complex is the microbial cell (e.g., the cytoplasmic fluid) in which it is expressed. Naturally occurring interferon in the body of a human similarly encounters Zn²⁺ and thereby forms a complex. The similarity of Zn²⁺ complexed interferon to its natural state makes it particularly advantageous in the treatment or prevention of viral infections and hyperproliferative disorders.

The term “interferon” or “IFN” includes any form or type of interferon from any species (e.g., human). The term includes for example, interferon alpha 2a, interferon alpha 2b, interferon beta (e.g., beta 1A or beta 1B), consensus interferon, interferon gamma (e.g., gamma 1B) or interferon alpha N3. In an embodiment of the invention, the amino acid sequence of human interferon alfa-2b (IFNa2b or IFNa2b or interferon alpha 2b or interferon a2b) is as follows:

(SEQ ID NO: 1; optionally comprising an N-terminal methionine) Cys Asp Leu Pro Gln Thr His Ser Leu Gly Ser Arg Arg Thr Leu Met Leu Leu Ala Gln Met Arg Arg Ile Ser Leu Phe Ser Cys Leu Lys Asp Arg His Asp Phe Gly Phe Pro Gln Glu Glu Phe Gly Asn Gln Phe Gln Lys Ala Glu Thr Ile Pro Val Leu His Glu Met Ile Gln Gln Ile Phe Asn Leu Phe Ser Thr Lys Asp Ser Ser Ala Ala Trp Asp Glu Thr Leu Leu Asp Lys Phe Tyr Thr Glu Leu Tyr Gln Gln Leu Asn Asp Leu Glu Ala Cys Val Ile Gln Gly Val Gly Val Thr Glu Thr Pro Leu Met Lys Glu Asp Ser Ile Leu Ala Val Arg Lys Tyr Phe Gln Arg Ile Thr Leu Tyr Leu Lys Glu Lys Lys Tyr Ser Pro Cys Ala Trp Glu Val Val Arg Ala Glu Ile Met Arg Ser Phe Ser Leu Ser Thr Asn Leu Gln Glu Ser Leu Arg Ser Lys Glu.

Interferon alpha 2a (IFNa2a) is identical to IFNa2b but for the presence of a lysine at position 23 instead of an arginine (see e.g., Genbank accession no. 1ITF).

“Interferon alpha 2” includes interferon alpha 2a and interferon alpha 2b.

Crystals

The present invention comprises dimeric, metal complexed, interferon alpha 2a or 2b crystals (e.g., interferon alpha 2b crystals) exhibiting superior qualities (IFNa2-M-IFNa2; wherein M is a metal, e.g., a divalent cation such as Zn²⁺, Mg²⁺, Mn²⁺, Cd²⁺, Ni²⁺, Ca²⁺ or Co²⁺). For example, the dimeric, metal complexed interferon alpha 2b crystals of the invention are of a high quality allowing for structural determination to a high resolution (e.g., about 1.95 or 2 Å).

Several crystallization methods are known in the art (Giegé, et al., (1994) Acta Crystallogr. D50: 339-350; McPherson, (1990) Eur. J. Biochem. 189: 1-23). Such methods include microbatch, hanging drop, seeding and dialysis. Preferably, hanging-drop vapor diffusion (McPherson, (1976) J. Biol. Chem. 251: 6300-6303) or microbatch methods (Chayen (1997) Structure 5: 1269-1274) are used. In each of these methods, it is important to promote continued crystal growth after nucleation by maintaining a supersaturated solution. In the microbatch method, polypeptide is mixed with precipitants to achieve supersaturation, the vessel is sealed and set aside until crystals appear. In the dialysis method, polypeptide is retained in a sealed dialysis membrane which is placed into a solution containing precipitant. Equilibration across the membrane increases the precipitant concentration thereby causing the polypeptide to reach supersaturation levels. It is desirable to use an IFNa2-M-IFNa2 (e.g., IFNa2b-Zn²⁺-IFNa2b) protein preparation having a concentration of at least about 1 mg/mL, for example, from about 3 to about 10 mg/mL. It may also be desirable to include a protein stabilizing agent.

Crystallization itself can be used as a purification method. In some instances, a polypeptide or protein crystallizes from a heterogeneous mixture into crystals. Isolation of such crystals by filtration and/or centrifugation, followed by redissolving the polypeptide affords a purified solution suitable for use in growing high-quality crystals which are preferred for diffraction analysis.

Once a crystal of the present invention is grown, X-ray diffraction data can be collected. One method for determining structure with X-ray diffraction data includes use of synchrotron radiation, under standard cryogenic condition; however, alternative methods may also be used. For example, crystals can be characterized by using X-rays produced by a conventional source, such as a sealed tube or a rotating anode. Methods of characterization include, but are not limited to, precession photography, oscillation photography and diffractometer data collection.

The crystallizable compositions provided by this invention are amenable to X-ray crystallography for providing the three-dimensional structure of IFNa2-M-IFNa2 (e.g., IFNa2b-Zn²⁺-IFNa2b) or a fragment or fusion thereof. The present invention includes crystals which effectively diffract X-rays for the determination of the atomic coordinates of IFNa2-M-IFNa2 (e.g., IFNa2b-Zn²⁺-IFNa2b) or a fragment or fusion thereof to a resolution of greater than about 5.0 Angstroms (e.g., about 4.5 Å, about 4.0 Å, about 3 Å, about 2.5 Å, about 2 Å, about 1.95 Å, about 1 Å), preferably greater than about 4.0 Angstroms (e.g., about 3 Å, about 2.5 Å, about 2 Å, about 1.95 Å, about 1 Å), more preferably greater than about 2.8 Angstroms (e.g., about 2.5 Å, about 2 Å, about 1.95 Å, about 1 Å) and most preferably greater than about 2.0 Angstroms (e.g., about 1.95 Å, about 1.5 Å, about 1.0 Å).

The present invention includes IFNa2-M-IFNa2 (e.g., IFNa2b-Zn²⁺-IFNa2b) crystals whose three-dimensional structure is described by the structure coordinates set forth in Tables 3 and 4. The scope of the present invention also includes crystals that possess structural coordinates which are similar to those set forth in Tables 3 and 4. In an embodiment, the crystals include a polypeptide which includes the amino acid sequence of SEQ ID NO: 1. Structural similarity between crystals is discussed in detail below.

The term “structure coordinates” refers to Cartesian coordinates derived from mathematical equations related to the patterns obtained on diffraction of a beam of X-rays by the atoms (scattering centers) of a molecule. The diffraction data are used to calculate electron density maps and to establish the positions of the individual atoms of the molecule.

Those of skill in the art will understand that a set of structure coordinates for an enzyme or an enzyme-complex or a portion thereof, is a relative set of points that define a shape in three dimensions. Thus, it is possible that an entirely different set of coordinates could define a similar or identical shape. Moreover, slight variations in the individual coordinates will have little effect on overall shape.

The present invention includes crystals exhibiting structural coordinates which are similar to those set forth in Table 3 or 4 but for crystallographic permutations of the structure coordinates, fractionalization of the structure coordinates, additions, subtractions, rotations or translations to sets of the structure coordinates or any combinations of the above.

Alternatively, modifications in the crystal structure due to mutations, additions, substitutions, and/or deletions of amino acids, or other changes in any of the components that make up the crystal may also account for variations in structure coordinates. If such variations are within an acceptable standard error as compared to the coordinates of Tables 3 or 4, the resulting three-dimensional shape is considered to be the same and, accordingly, the modified crystal is considered to be within the scope of the present invention.

Various computational analyses may be used to determine whether a crystal is sufficiently similar to the crystals whose structural coordinates are set forth in Tables 3 or 4 as to be considered the same. Such analyses may be carried out in current software applications, such as the Molecular Similarity application of QUANTA (Molecular Simulations Inc., San Diego, Calif.) version 4.1, and as described in the accompanying User's Guide.

The Molecular Similarity application permits comparisons between different structures, different conformations of the same structure, and different parts of the same structure. In general, the procedure used in Molecular Similarity to compare structures is divided into four steps: 1) input the structures to be compared; 2) define the atom equivalences in these structures; 3) perform a fitting operation; and 4) analyze the results. Each structure is identified by a name. One structure is identified as the target (i.e., the fixed structure); all remaining structures are working structures (i.e., moving structures). Since atom equivalency within QUANTA is defined by user input, for the purpose of this invention we will define equivalent atoms as alpha carbon atoms (Ca) or all protein backbone atoms (N, Cα, C and O) for all conserved residues between the two structures being compared. When a rigid fitting method is used, the working structure is translated and rotated to obtain an optimum fit with the target structure. The fitting operation uses a least squares fitting algorithm that computes the optimum translation and rotation to be applied to the moving structure, such that the root mean square difference of the fit over the specified pairs of equivalent atom is an absolute minimum. This number, given in Angstroms, is reported by QUANTA.

The term “root mean square deviation” (RMSD) is a commonly known term in the art which, in general, means the square root of the arithmetic mean of the squares of the deviations from the mean distance of corresponding atoms. It is a way to express the deviation or variation from a trend or object.

The term “least squares” relates to a method based on the principle that the best estimate of a value is that in which the sum of the squares of the deviations of observed values is a minimum.

For the purpose of this invention, any crystalline molecule characterized by a set of structure coordinates that has a RMSD of conserved residue backbone atoms (N, Cα, C, O) or of alpha carbon atoms (Cα) only of less than about 1.5 Å when superimposed—using backbone atoms or alpha carbon atoms—on the relevant structure coordinates of Table 3 or 4 are considered identical and are within the scope of the present invention. In an embodiment of the invention, the crystal comprises a polypeptide comprising the amino acid sequence of SEQ ID NO: 1. In an embodiment, the root mean square deviation is about 1.0 Å or about 0.75 Å or about 0.5 Å or about 0.25 Å or about 0.10 Å.

Computers

In accordance with the present invention, the structure coordinates of IFNa2-M-IFNa2 (e.g., IFNa2b-Zn²⁺-IFNa2b) may be stored in a machine-readable storage medium. Such data may be used for a variety of purposes, such as X-ray crystallographic analysis of a protein crystal (e.g., for producing a three-dimensional representation of IFNa2b-Zn²⁺-IFNa2b). Accordingly, one aspect of this invention provides a machine-readable data storage medium comprising a data storage material encoded with the structure coordinates set forth in Tables 3 or 4. The machine-readable data storage medium may also include any set of structure coordinates of a molecule that has a root mean square deviation of alpha carbon atoms (Cα) or of conserved residue backbone atoms (N, Cα, C, O) of less than about 1.5 Å, preferably, less than about 1.0 Å, more preferably less than about 0.5 Å and even more preferably less than about 0.1 Å when superimposed—using backbone atoms or only alpha carbon atoms (Ca)—on the relevant structure coordinates of Table 3 or 4.

A computer system, useful in reading the machine readable data storage medium, includes a computer comprising a central processing unit (“CPU”) and a memory storage device and is also within the scope of the present invention. In general, the computer system may be any computer with an operating system such as MS-DOS, PC-DOS, Windows, OS/2, Unix, Unix variant or MacOS. Particularly preferred computer systems are the Silicon Graphics Octane workstation or Compaq AlphaServer DS20. Other hardware systems and software packages will be known to those skilled in the art.

Input hardware coupled to the computer system by input line, may be implemented in a variety of ways. Machine-readable data of this invention may be input via the use of a modem or modems connected by a telephone line or a dedicated data line. Alternatively or additionally, the input hardware may comprise CD-ROM drives or disk drives. A keyboard may also be used as an input device.

Output hardware, coupled to the computer system by output lines, may similarly be implemented by conventional devices. By way of example, output hardware may include a display terminal (e.g., a cathode ray tube (CRT)) for displaying a graphical representation of the three dimensional structure of IFN2b or a portion thereof using a program such as INSIGHT (Molecular Simulations Inc., San Diego, Calif.) or QUANTA as described herein. Output hardware might also include a printer, so that hard copy output may be produced, or a disk drive, to store system output for later use. In preferred embodiments, the computer possesses a display which is displaying a three dimensional representation of IFN2b or a fragment or homologue thereof.

In operation, the central processing unit (CPU) coordinates the use of the various input and output devices, coordinates data accesses from mass storage and accesses to and from working memory, and determines the sequence of data processing steps. A number of programs may be used to process the machine-readable data of this invention. Such programs are discussed in reference to the computational methods of drug discovery as described herein. Specific references to components of the computer system are included as appropriate throughout the following description of the data storage medium.

A magnetic data storage medium can be encoded with a machine-readable data by a computer system as described above. Storage medium may be, for example, a conventional floppy diskette or hard disk, having a suitable substrate, which may be conventional, and a suitable coating, which may be conventional, on one or both sides, containing magnetic domains whose polarity or orientation can be altered magnetically. The magnetic domains of the coating of medium may be polarized or oriented so as to encode, in a manner which may be conventional, machine readable data, such as that described herein, for execution by a system as described herein. Storage medium may also have an opening for receiving the spindle of a disk drive or other data storage device. Alternatively, an optically-readable data storage medium can be encoded with such machine-readable data, or a set of instructions. Medium can be a conventional compact disk read only memory (CD-ROM) or a rewritable medium such as a magneto-optical disk which is optically readable and magneto-optically writable.

In general, in the case of CD-ROM, as is well known, disk coating is reflective and is impressed with a plurality of pits to encode the machine-readable data. The arrangement of the pits is read by reflecting laser light off the surface of the coating. A protective coating, which preferably is substantially transparent, is provided on top of the coating.

In general, in the case of a magneto-optical disk, as is well known, disk coating has no pits, but has a plurality of magnetic domains whose polarity or orientation can be changed magnetically when heated above a certain temperature, as by a laser. The orientation of the domains can be read by measuring the polarization of laser light reflected from the coating. The arrangement of the domains encodes the data as described above.

Modified Interferon

The present invention comprises a chemically-modified interferon (e.g., interferon alpha 2, such as interferon-alpha 2b) composition along with methods for making the composition. The composition comprises a dimeric cationic metal such as Zn²⁺ complexed with dimerized IFNa2 (e.g., IFNa2b such as SEQ ID NO: 1) which is preferentially chemically modified (e.g., PEGylated) on amino acid residues that are exposed and not buried in the IFNa2 interface. The chemically-modified interferon compositions of the present invention comprise a high proportion of dimerized interferon, the natural biological form of the protein (see e.g., Nagabhushan et al., Can. J. Chem. 80:1166-1173 (2002)). The presence of a high proportion of the naturally occurring interferon dimer is an advantage of the present invention since the dimers will exhibit high levels of biological activity (e.g., anti-viral activity when administered to a patient). Chemical modification on sites other than those that are buried in an interferon alpha 2 dimer, for example, other than on residues that are buried in the intermolecular IFNa2 dimer interface, allows a greater proportion of the interferon alpha 2 in a composition to assume the natural dimerized state.

The scope of the present invention includes embodiments wherein the chemically modified, Zn²⁺ complexed and dimerized IFNa is a crystalline composition. For example, the complexed, dimerized interferon alpha, that is PEGylated, can be any such crystal as described herein (e.g., IFNa2b-Zn2⁺-IFNa2b belonging to the P21 or C2 space group and/or characterized by structural coordinates set forth in table 3 or 4).

Moreover, individual monomers of such a chemically modified dimer of the invention are within the scope of the invention.

The interferon can be modified with any chemical moiety, for example, a polymer such as succinimidyl carbonyl methoxypolyethylene glycol 5000 (SC PEG5000), a polyalkylene oxide comprising an alkyl terminal, polypropylene glycol, dextran, polyvinyl pyrrolidones, polyacryl amides, polyvinyl alcohols or any carbohydrate-based polymer.

In an embodiment of the invention, the chemical modification is PEGylation (attachment of polyethylene glycol (PEG) molecules to amino acid residues in the interferon). PEGylation can occur on any of several exposed residues in the Zn²⁺ complexed and dimerized IFNa2 (e.g., IFNa2b).

In an embodiment of the invention, His 34 is blocked from chemical modification (e.g., PEGylation) in the dimerized interferon alpha. In an embodiment, Lys 49, Lys 121, Lys 31, His 7 and Cys 1 are exposed in a dimerized interferon alpha and are preferentially modified (e.g., PEGylated in a PEG-interferon alpha 2 molecule (e.g., IFNa2b)).

In an embodiment of the invention, in a composition comprising dimerized interferon alpha (e.g., IFNa2b), modification, such as PEGylation, at His 34 constitutes less than 50% of the overall modification (e.g., PEGylation (e.g., essentially 0%)). In an embodiment of the invention, essentially 100% of modification (e.g., PEGylation) in a composition comprising dimerized modified interferon (e.g., PEG-interferon (e.g., PEG-IFNa2b)) is on residues Lys 49, Lys 121, Lys 31, His 7 and Cys 1. In an embodiment of the invention, essentially 100% of modification (e.g., PEGylation) in a composition comprising dimerized modified interferon (e.g., PEG-interferon (e.g., PEG-interferon alpha 2a)) is on residues Lys 49, Lys 121, Lys 31. As used in this context, % of overall modification refers to the percentage of a given interferon residue in a composition that are modified, e.g., by PEGylation. For example, an embodiment of the invention, comprise interferon wherein less than 50% of the His 34 interferon residues in a given composition are modified.

Methods for PEGylating interferon alpha 2 (e.g., IFNa2b) are well known in the art (see e.g., U.S. Pat. No. 5,711,944). In an embodiment of the invention, a Zn²⁺ complexed and dimerized PEG-IFNa2 (e.g., PEG-IFNa2b) is generated by a method comprising the steps of first forming the dimer, then contacting the dimer with from about a 1 to about an 8-fold molar excess of an activated PEG in the presence of a surfactant (e.g., ionic surfactant such as sodium dodecyl syulfate or lithium dodecyl sulfate, quaternary ammonium compounds, taurocholic acid, caprylic acid, decane sulfonic acid or mixtures thereof) under conditions sufficient to form conjugates of said dimer and said PEG and thereafter fractionating the conjugates to isolate the conjugates containing about 1-4 PEG strands per IFNa2 (e.g., IFNa2b) dimer.

The PEG can be of any size. For example, in an embodiment of the invention, the PEG is from about 200 to about 35,000 or 40,000 or from about 1,000 to about 15,000 or from about 2,000 to about 12,500. PEG can be straight chain or branched (e.g., PEG 40,000 branched chain). Branched chain PEG-interferon a2b is e.g., described in Ramon et al., Pharm Res. 22(8):1374-86 (2005).

The present invention provides a method for producing purified Zn²⁺ complexed INFa2 (e.g., IFNa2b) dimer comprising expressing the protein in E. coli, for example as disclosed by Weissmann, et al. Science, 209: 1342 (1980). The E. coli cells expressing the protein are lysed and a soluble fraction is obtained. The soluble fraction is then purified chromatographically using S-sepharose, blue sepharose and DEAE sepharose. The chromatographically purified material is then dialyzed versus water (e.g., double glass distilled water) and lyophilized to an amorphous solid. In an embodiment of the invention, the purified Zn²⁺ complexed IFNa2 (e.g., IFNa2b) dimer is chemically modified (e.g., PEGylated). The protein can be PEGylated by any of several methods known in the art. For example, Zalipsky et al., reported use of a succinimidyl carbonate form of PEG (SC-PEG) as a reagent for protein PEGylation (Biotechnol Appi Biochem. 15(1):100-114 (1992)). Any IFNa2 polypeptide produced by such a procedure along with any use of such a polypeptide, for example, as set forth herein, forms part of the present invention. In an embodiment of the invention, the Zn²⁺ in the complex is not specifically added to the inferferon; rather, it becomes complexed with interferon due to its presence in the cells in which the interferon polypeptide is expressed. The present invention also comprises methods and compositions wherein the Zn²⁺ is specifically added.

Therapeutic Methods

Compositions of the invention, for example, any crystalline IFNa2 set forth herein (e.g., IFNa2b-Zn²⁺-IFNa2b comprising the structural coordinates set forth in Table 3 or 4) or a chemically modified IFNa2 (e.g., PEG-IFNa2b) of the invention can be used therapeutically for the treatment or prevention of a cell proliferation disorder or a viral infection (e.g., Flaviviridae virus such as hepatitis C virus). The crystalline complex is particularly suitable for pulmonary delivery to a patient. For example, an embodiment of the present invention comprises treating or preventing viral infection or a cell proliferation disorder, in a subject, by pulmonary administration (e.g., by inhalation), to the subject, of crystalline metal-complexed and dimerized IFNa2 by inhalation (e.g., IFNa2b-Zn²⁺-IFNa2b). Another embodiment of the present invention comprises treating or preventing viral infection or a cell proliferation disorder, in a subject, by administering an interferon of the present invention, for example, crystalline metal-complexed and dimerized IFNa2 (e.g., IFNa2b-Zn²⁺-IFNa2b) or a PEG-IFNa2 of the invention (e.g., PEG-IFNa2b), in a sustained release pharmaceutical formulation, to the subject.

In an embodiment of the invention, an interferon of the present invention (e.g., crystalline IFNa2b-Zn²⁺-IFNa2b or PEG-IFNa2b) is administered to the subject in association with any further chemotherapeutic agent (e.g., an anti-viral agent such as ribavirin or an anti-proliferative agent).

In an embodiment of the invention, the metal-complexed and dimerized IFNa2 (e.g., IFNa2b-Zn²⁺-IFNa2b) or a PEG-IFNa2 (e.g., PEG-IFNa2b-Zn²⁺-PEG-IFNa2b) of the invention is administered in a “therapeutically effective” amount or dosage. A therapeutically effective amount or dosage is any amount or dosage that is sufficient to prevent a cell proliferation disorder or a viral infection or to treat any symptom or effect of the cell proliferation disorder or viral infection including, for example, eradication of the infection or disorder. In an embodiment of the invention, a therapeutically effective amount or dosage is about 1.0 μg/kg/week. The present invention also includes embodiments wherein the interferon or PEGylated interferon is administered at 0.1 μg/kg/week, 0.25 μg/kg/week, 0.5 μg/kg/week, 0.75 μg/kg/week, 2 μg/kg/week, 3 μg/kg/week, 4 μg/kg/week, 5 μg/kg/week, 6 μg/kg/week, 7 μg/kg/week, 8 μg/kg/week, 9 μg/kg/week, 10 μg/kg/week, 50 μg/kg/week, 75 μg/kg/week, 100 μg/kg/week, 125 μg/kg/week, 150 μg/kg/week or 200 μg/kg/week. The dosage can be given for any period of time including, for example, 1 month, 3 months, 6 months, 1 year or more.

Dosage regimens can be adjusted to provide the optimum desired response (e.g., a therapeutic response). For example, the dose can be reduced or increased as indicated by exigencies of the therapeutic situation. For example, dosage can be adjusted, by a practitioner of ordinary skill in the art (e.g., physician or veterinarian) according to the drug's efficacy, progression or persistence of the disease or any of its symptoms or the patient's age, weight, height, past medical history, present medications and the potential for cross-reaction, allergies, sensitivities and adverse side-effects.

A physician or veterinarian having ordinary skill in the art can readily determine and prescribe the effective amount of the pharmaceutical composition required. For example, the physician or veterinarian could start doses of an interferon of the invention or a pharmaceutical composition thereof at levels lower than that required in order to achieve the desired therapeutic effect and gradually increase the dosage until the desired effect is achieved.

For example, the progress and severity of a viral infection, for example an HCV infection, can be monitored by periodic determination of the following profiles in the subject being treated:

(a) elevated ALT and/or AST,

(b) positive test for anti-HCV antibodies,

(c) presence of HCV as demonstrated by a positive test for HCV-RNA,

(d) clinical stigmata of chronic liver disease,

(e) hepatocelluar damage.

Elevated serum alanine aminotransferase (ALT) and aspartate aminotransferase (AST) are known to occur in uncontrolled hepatitis C, and a complete response to treatment is generally defined as the normalization of these serum enzymes, particularly ALT (Davis et al., New Eng. J. Med. 321:1501-1506 (1989)). ALT is an enzyme released when liver cells are destroyed and is symptomatic of HCV infection. Interferon causes synthesis of the enzyme 2′,5′-oligoadenylate synthetase (2′5′OAS), which, in turn, results in the degradation of the viral mRNA. (Houglum, Clinical Pharmacology 2:20-28 (1983)). Increases in serum levels of the 2′5′OAS coincide with decrease in ALT levels.

In order to follow the course of HCV replication in subjects in response to drug treatment, HCV RNA may be measured in serum samples by, for example, a nested polymerase chain reaction assay that uses two sets of primers derived from the N53 and N54 non-structural gene regions of the HCV genome. (Farci et al., New Eng. J. Med. 325:98-104 (1991); Ulrich et al., J. Clin. Invest., 86:1609-1614 (1990)).

Histological examination of liver biopsy samples may be used as a second criteria for evaluation. See, e.g., Knodell et al., Hepatology 1:431-435 (1981), whose Histological Activity Index (portal inflammation, piecemeal or bridging necrosis, lobular injury and fibrosis) provides a scoring method for disease activity.

Any clinician or veterinarian of ordinary skill in the art could interpret the results of such tests and alter the dosage regimen accordingly so as to obtain the desired therapeutic effect.

An embodiment of the invention comprises treating HCV infection for a period of time sufficient to eradicate detectable HCV RNA and to maintain no detectable HCV RNA for at least twelve weeks after the end of the treatment time period (e.g., 24 weeks, 48 weeks or 1 year).

The term Flaviviridae virus includes for example, viruses of the Hepacivirus genus which includes the Hepatitis C virus (HCV). HCV includes several types, subtypes and isolates:

Hepatitis C virus (isolate 1)

Hepatitis C virus (isolate BK)

Hepatitis C virus (isolate EC1)

Hepatitis C virus (isolate EC10)

Hepatitis C virus (isolate HC-J2)

Hepatitis C virus (isolate HC-J5)

Hepatitis C virus (isolate HC-J6)

Hepatitis C virus (isolate HC-J7)

Hepatitis C virus (isolate HC-J8)

Hepatitis C virus (isolate HC-JT)

Hepatitis C virus (isolate HCT18)

Hepatitis C virus (isolate HCT27)

Hepatitis C virus (isolate HCV-476)

Hepatitis C virus (isolate HCV-KF)

Hepatitis C virus (isolate Hunan)

Hepatitis C virus (isolate Japanese)

Hepatitis C virus (isolate Taiwan)

Hepatitis C virus (isolate TH)

Hepatitis C virus isolate H

Hepatitis C virus type 1

Hepatitis C virus type 1a

Hepatitis C virus strain H77

Hepatitis C virus type 1b

Hepatitis C virus type 1c

Hepatitis C virus type 1d

Hepatitis C virus type 1e

Hepatitis C virus type 1f

Hepatitis C virus type 10

Hepatitis C virus type 2

Hepatitis C virus type 2a

Hepatitis C virus type 2b

Hepatitis C virus type 2c

Hepatitis C virus type 2d

Hepatitis C virus type 2f

Hepatitis C virus type 3

Hepatitis C virus type 3a

Hepatitis C virus type 3b

Hepatitis C virus type 3g

Hepatitis C virus type 4

Hepatitis C virus type 4a

Hepatitis C virus type 4c

Hepatitis C virus type 4d

Hepatitis C virus type 4f

Hepatitis C virus type 4h

Hepatitis C virus type 4k

Hepatitis C virus type 5

Hepatitis C virus type 5a

Hepatitis C virus type 6

Hepatitis C virus type 6a

Hepatitis C virus type 7

Hepatitis C virus type 7a

Hepatitis C virus type 7b

Hepatitis C virus type 8

Hepatitis C virus type 8a

The present invention also includes methods for treating or preventing infection caused by members of the Flavivirus genus. The Flavivirus genus includes Yellow fever virus; Tick-borne viruses such as the Gadgets Gully virus, Kadam virus, Kyasanur Forest disease virus, Langat virus, Omsk hemorrhagic fever virus, Powassan virus, Royal Farm virus, Karshi virus, Tick-borne encephalitis virus, Neudoerfl virus, Neudoerfl virus, Sofjin virus, Louping ill virus and the Negishi virus; seabird tick-borne viruses such as the Meaban virus, Saumarez Reef virus, and the Tyuleniy virus; mosquito-borne viruses such as the Aroa virus, Bussuquara virus, Iguape virus and the Naranjal virus; Dengue viruses such as the Dengue virus and the Kedougou virus; Japanese encephalitis viruses such as the Cacipacore virus, Koutango virus, Japanese encephalitis virus, Murray Valley encephalitis virus, Alfuy virus, St. Louis encephalitis virus, Usutu virus, West Nile virus, Kunjin virus and the Yaounde virus; Kokobera viruses such as the Kokobera virus and the Stratford virus; Ntaya viruses such as the Bagaza virus, Ilheus virus, Rocio virus, Israel turkey meningoencephalomyelitis virus, Ntaya virus and the Tembusu virus; Spondweni viruses such as the Zika virus and the Spondweni virus; Yellow fever viruses such as the Banzi virus, Bouboui virus, Edge Hill virus, Jugra virus, Saboya virus, Potiskum virus, Sepik virus, Uganda S virus, Wesselsbron virus and the Yellow fever virus; Entebbe viruses such as the Entebbe bat virus, Sokoluk virus, and the Yokose virus; Modoc viruses such as the Apoi virus, Cowbone Ridge virus, Jutiapa virus, Modoc virus, Sal Vieja virus and the San Perlita virus; Rio Bravo viruses such as the Bukalasa bat virus, Carey Island virus, Dakar bat virus, Montana myotis leukoencephalitis virus, Phnom Penh bat virus, Batu Cave virus, Rio Bravo virus, Tamana bat virus, and the Cell fusing agent virus. The present invention includes methods for treating or preventing infection caused by members of the Pestivirus genus. The Pestivirus genus includes Bovine viral diarrhea virus 1, Border disease virus (sheep), Bovine viral diarrhea virus 1, Bovine viral diarrhea virus 2, Classical swine fever virus and Hog cholera virus.

Moreover, the present invention includes methods for treating or preventing infections caused by Hepatitis G virus or Hepatitis GB virus-A, B or C.

The term “cell proliferation disorder” includes, but is not limited to, for example, any type of cancer such as, for example, any type of leukemia including hairy cell leukemia, Kaposi's sarcoma, chronic myelogenous leukemia, multiple myeloma, basal cell carcinoma and malignant melanoma, ovarian cancer, cutaneous T cell lymphoma or for chronic phase, Philadelphia chromosome (Ph) positive chronic myelogenous leukemia (CML).

Pharmaceutical Compositions

The scope of the present invention comprises any of the crystals of the present invention formulated in a pharmaceutically acceptable carrier. Examples of pharmaceutically acceptable carriers and methods of manufacture for various compositions may be found in A. Gennaro (ed.), Remington's Pharmaceutical Sciences, 18th edition, (1990), Mack Publishing Co., Easton, Pa. or in Howard C. Ansel, Pharmaceutical Dosage Forms and Drug Delivery Systems, 6^(th) edition, (1995), Williams & Wilkins, Media, Pa.

Pharmaceutical compositions of an interferon of the invention suitable for parenteral administration may be formulated with a suitable buffer, e.g., Tris-HCl, acetate or phosphate such as dibasic sodium phosphate/monobasic sodium phosphate buffer, and pharmaceutically acceptable excipients (e.g., sucrose), carriers (e.g., human plasma albumin), toxicity agents (e.g., NaCl), preservatives (e.g. thimerosol, cresol or benzyl alcohol), and surfactants (e.g., tween or polysorbates) in sterile water for injection. For example, an embodiment of the invention includes a pharmaceutical composition comprising a soluble polypeptide IFNa2-Zn²⁺-IFNa2 complex or a complex between chemically modified interferon alpha 2 and Zn²⁺ (e.g., PEGylated IFNa2 and Zn²⁺), for example (PEG-IFNa2b)-Zn²⁺-(PEG-IFNa2b), in association with a pharmaceutically acceptable carrier. In an embodiment, as discussed herein, the (PEG-IFNa2b)-Zn²⁺-(PEG-IFNa2b) is preferentially PEGylated on exposed residues. The interferon may be stored as a lyophilized powder under refrigeration at 2°-8° C. The reconstituted aqueous solutions are stable when stored between 2°-8° C. and used within 24 hours of reconstitution. See, for example, U.S. Pat. Nos. 4,492,537; 5,762,923 and 5,766,582. The reconstituted aqueous solutions may also be stored in prefilled, multi-dose syringes such as those useful for delivery of drugs such as insulin. Typical suitable syringes include systems comprising a prefilled vial attached to a pen-type syringe such as the NOVOLET Novo Pen available from Novo Nordisk, as well as prefilled, pen-type syringes which allow easy self-injection by the user. Other syringe systems include a pen-type syringe comprising a glass cartridge containing a diluent and lyophilized pegylated interferon alpha powder in a separate compartment.

The present invention comprises a sustained-release, controlled-release, prolonged-release, timed-release, slow-release, sustained-action, prolonged action, extended action or rate-controlled pharmaceutical formulation comprising an interferon crystal of the invention (e.g., a crystal comprising an IFNa2b-Zn2⁺-IFNa2b complex). The present invention also comprises a pharmaceutical formulation comprising a crystal of the invention suitable for pulmonary administration, e.g., by inhalation. The crystals of the present invention are particularly suitable for pulmonary or sustained release pharmaceutical formulations and administration, for example, because the crystals diffract to a higher resolution than other interferon crystals. For example, in an embodiment of the invention, a crystal of the invention diffracts to a resolution of about 1 Å. The ability to diffract and yield a high resolution structure indicates that the molecules in the crystals are highly ordered. Highly ordered crystals will exhibit a highly predictable dissolution rate when placed in an aqueous environment, such as the subcutaneous tissue or the lungs. A highly predictable dissolution rate allows the pharmacokinetic parameters of a crystal, that has been administered to a subject, to be predicted relatively easily and for dosage to be predicted and controlled relatively easily.

In an embodiment of the invention, a crystal of the invention, suitable for a sustained release formulation comprises a size of from about 1 μm to about 70 μm (diameter). Methods for making sustained-release formulations are well known in the art.

In an embodiment of the invention, a sustained-release of an interferon of the invention is a sustained and/or modulated release of the IFN from a biocompatible polymeric matrix. For example, an embodiment of the invention includes a composition for the controlled release of an interferon of the invention from a polymeric matrix, comprising a biocompatible polymer; and crystalline particles of the interferon, wherein said particles are dispersed within the biocompatible polymer. For example, in an embodiment of the invention, a sustained release is a release of an interferon of the invention over a period of up to about one week to about six months. A sustained release of an interferon of the invention from a polymeric matrix can be continuous or non-continuous release with relatively constant or varying rates of release. The continuity of interferon release and level of interferon release can be affected by use of one or more types of polymer compositions, interferon loadings, and/or selection of excipients to produce the desired effect.

In an embodiment of the invention, a sustained release formulation comprises an interferon crystal of the invention in a GRAS (generally recognized as safe) formulation suitable for subcutaneous injection. For example, in an embodiment of the invention, the formulation comprises a sterile IFNa2-Zn²⁺-IFNa2 (e.g., IFNa2b-Zn²⁺-IFNa2b; e.g., SEQ ID NO: 1) crystalline suspension (34×10⁶ IU/dose) in 10 mM sodium acetate, 10 mM zinc acetate and 0.4 mM protamine sulfate, pH 5.5 buffer. Accordingly, the present invention comprises methods for treating or preventing a viral infection (e.g., HCV) or treating or preventing a hyperproliferative disease (e.g., leukemia) by administering such a formulation to a subject (e.g., a mammal such as a human), for example, by subcutaneous injection. Moreover, the scope of the present invention comprises an injectable device comprising such a formulation.

In an embodiment of the invention, a biocompatible, biodegradable polymer for use in a sustained-release of an interferon of the invention includes, for example, poly(lactides), poly(glycolides), poly(lactide-co-glycolides), poly(lactic acid)s, poly(glycolic acid)s, poly(lactic acid-co-glycolic acid)s, polycaprolactone, polycarbonates, polyesteramides, polyanhydrides, poly(amino acids), polyorthoesters, polyacetals, polycyanoacrylates, polyetheresters, poly(dioxanone)s, poly(alkylene alkylate)s, copolymers of polyethylene glycol and polyorthoester, biodegradable polyurethanes, blends and copolymers thereof.

In an embodiment of the invention, a biocompatible, non-biodegradable polymer suitable for the modulated release composition of this invention includes non-biodegradable polymers selected from the group consisting of polyacrylates, polymers of ethylene-vinyl acetates and other acyl substituted cellulose acetates, non-degradable polyurethanes, polystyrenes, polyvinyl chloride, polyvinyl fluoride, poly(vinyl imidazole), chlorosulphonate polyolefins, polyethylene oxide, blends and copolymers thereof.

A polymer, or polymeric matrix, is biocompatible if the polymer, and any degradation products of the polymer, are non-toxic to the recipient and also present no significant deleterious or untoward effects on the recipient's body, such as an immunological reaction at the injection site.

In an embodiment of the invention, an interferon crystal of the invention is formulated into a liposome for sustained release. In this embodiment of the invention, the crystal is formulated into a single- or multi-layer vesicle which comprises an aqueous vesicle comprising the crystal surrounded by either a single lipid layer or a concentric lipid layer. Generally, the lipid layer is a phospholipid. In an embodiment of the invention, the formulation is suitable for parenteral administration.

In an embodiment of the invention, a sustained release pharmaceutical formulation of the invention comprises an interferon crystal of the invention in a highly viscous carrier. In an embodiment of the invention, the formulation is suitable for parenteral administration. In an embodiment of the invention, the medium is thickened with an agent such as methylcellulose, sodium carboxymethylcellulose or polyvinylpyrrolidone.

In an embodiment of the invention, a sustained release pharmaceutical formulation of the invention comprises an interferon crystal of the invention in an oil solution, suspension or emulsion. In an embodiment of the invention, the formulation is suitable for parenteral administration. In an embodiment of the invention, the oil is sesame oil, olive oil, arachnis, maize, almond oil, cottonseed oil, or castor oil.

In an embodiment of the invention, a sustained release pharmaceutical formulation of the invention comprises an interferon crystal of the invention in an implantable device/formulation. For example, in an embodiment of the invention, the crystal is encapsulated in a compartment that is enclosed by a rate-limiting polymeric membrane.

In an embodiment of the invention, a sustained release pharmaceutical formulation of the invention is administered by injection under the skin of a subject, subcutaneously.

The present invention comprises a pharmaceutical formulation for inhaled/pulmonary delivery comprising an interferon crystal of the invention (e.g., a crystal comprising an interferon-a2b-Zn2⁺-interferon-a2b complex). There are numerous formulations known in the art for pulmonary delivery of polypeptides and crystals thereof which can be used to formulate and deliver an interferon of the invention. In an embodiment of the invention, the particle size of the interferon crystal is from about 0.5 μm to about 7 μm (diameter). In an embodiment of the invention, the particle size is less than about 1 μm. The present invention comprises a dry powder inhaler, metered-dose inhaler or a nebulizer comprising an interferon of the invention. A metered-dose inhaler product typically contains an interferon of the invention dissolved or suspended in a propellant, a mixture of propellants, or a mixture of solvents, propellants, and/or other excipients in compact pressurized aerosol dispensers.

An embodiment of the invention comprises a pulmonary delivery formulation of the invention comprising a crystalline suspension of an interferon of the invention (e.g., 10−50×10⁶ international units) suspended in sterile filtered 5 mM sodium acetate, pH 6.1 and 0.1% Tween 80 (pharmaceutical grade).

For example, an embodiment of the invention includes a concentrated stable, aqueous formulation of an interferon of the invention for pulmonary/aerosol delivery comprising the interferon of the invention; a buffer system (e.g., acetic acid, arginine, ascorbic acid, asparagines, benzoic acid, boric acid, citrate, cysteine, fumaric acid, glutamic acid, glycyl-glycine, histidine, homocysteine, hydroxylysine, lysine, malic acid, phosphate, succinate, tris or tartaric acid buffer system); a stabilizer (e.g., poly(oxy-1,2-ethanediyl) derivative, such as polyoxyyethlene 20 sorbitan monolaurate or sorbitan, monododecanoate, also called Polysorbate 20 or Tween 20, or high purity Polysorbate 20 or Tween 20 derived from non-animal sources with low peroxide and low carbonyl content); and water.

A dry powder inhaler can be, for example, a pre-metered inhaler or a device-metered dry powder inhalers, both of which can be driven by patient inspiration alone or with power-assistance of some type. Pre-metered dry powder inhalers typically contain previously measured doses or dose fractions in some type of units (e.g., single or multiple presentations in blisters, capsules, or other cavities) that are subsequently inserted into the device during manufacture or by the patient before use. Thereafter, the dose may be inhaled directly from the pre-metered unit or it may be transferred to a chamber before being inhaled by the patient. Device-metered dry powder inhalers typically have an internal reservoir containing sufficient formulation for multiple doses that are metered by the device itself during actuation by the patient.

Compositions comprising any interferon of the present invention (e.g., crystalline IFNa2b (e.g., comprising structural coordinates set forth in Table 3 or 4) or a chemically modified PEG-IFN (e.g., PEG-IFNa2b)) in association with a further chemotherapeutic agent are within the scope of the present invention.

In an embodiment of the invention, the interferon is provided in association with an anti-viral or anti-cancer chemotherapeutic agent. For example, in an embodiment of the present invention, the further chemotherapeutic agent is one or more members selected from the group consisting of:

gemcitabine

VX497

mycophenolate mofetil (MMF; 2-morpholinoethyl (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate); administering EICAR

5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide; Balzarini et al., J. Biol. Chem. 268(33): 24591-24598 (1993)); isatoribine

ANA245; 5-Amino-3-beta-D-ribofuranosylthiazolo(4,5-d)pyrimidine-2,7(3H,6H)-dione monohydrate; Thiazolo(4,5-d)pyrimidine-2,7(3H,4H)-dione, 5-amino-3-beta-D-ribofuranosyl-, monohydrate); VX-950

Lin et al., J. Biol. Chem. 279(17): 17508-17514 (2004)); viramidine

levovirin

and ribavirin

1-β-D-ribofuranosyl-1H-1,2,4-triazole-3-carboxamide).

The term “in association” indicates that the components of the combinations of the invention can be formulated into a single composition for simultaneous delivery or formulated separately into two or more compositions (e.g., a kit). Furthermore, each component of a combination of the invention can be administered to a subject at a different time than when the other component is administered; for example, each administration may be given non-simultaneously (e.g., separately or sequentially) at several intervals over a given period of time. Moreover, the separate components may be administered to a subject by the same or by a different route (e.g., orally, intravenously, subcutaneously).

The scope of the present invention also comprises administering any interferon composition of the invention in association with a further chemotherapeutic agent to treat or prevent a medical disorder such as viral infection or a cell proliferation disorder (e.g., as discussed above).

EXAMPLES

The following Examples are intended for exemplification of the present invention only and should not be construed to limit the scope of the invention. Any composition or method disclosed in the Examples section forms part of the present invention.

Ground and flight based crystals were generated using a protein crystallization facility (PCF) apparatus (see U.S. Pat. No. 6,027,565).

Example 1 Preparation and Purification of Interferon Alpha-2b Dimers Coordinated with Zinc

The interferon alfa-2 employed was recombinant human interferon alfa-2b expressed in E. coli as described in Weissmann, et al. Science, 209, 1342 (1980). The cells were cultured, harvested and extracted as previously reported in Leibowitz, P. et al (1982) U.S. Pat. No. 4,315,852. Briefly, the extraction involved acidifying the suspension of interferon-containing bacterial cells, removing the suspension liquid from the cells, preparing a second suspension of the acidified cells and neutralizing the second suspension, then separating the interferon containing liquid from the suspended cells, and extracting the interferon from the liquid. This extraction method efficiently released the interferon from the cells, upon neutralization of the suspension of acidified cells, without the need for mechanical or enzymatic disruption of the cell surface. The resulting extracts were purified by a combination of conventional purification steps (cation exchange, weak anion exchange and cibacron Blue 3G chromatography). The resulting purified interferon alpha-2b (4 liters; 5.4 mg/ml) preparation was dialyzed versus 20 l of double glass distilled water (Corning Mega Pure water purification unit; Corning, N.Y.) (2×20 li) and lyophilized to amorphous solid. In the examples set forth below, two sets of interferon crystallization experiments were performed in parallel. One set was performed on the Space Shuttle Columbia (STS-107). The other set was performed on the ground.

Example 2 Crystallization Conditions for Flight Experiments

Pre-Crystallization Processing (Flight).

All operations were performed under clean room conditions at 4° C. 109 mg of lyophilized interferon alpha 2b amorphous solid as described in example 1, was dissolved in 11 ml of 30 mM sodium acetate (Fluka BioChemika Buchs, AG; sodium acetate anhydrous cat #71183), pH 6.03 (1M Sodium chloride (Fluka BioChemika Buchs, AG; sodium chloride anhydrous cat #71376) stock solution was added drop wise to a conductivity reading of 5 milli-siemens) at 4° C. The resulting solution was dialyzed in a Spectrum (Rancho Dominguez, Ca, USA; Spectra/por RC float-a-lyzer cat #23510; 10 thousand molecular weight cutoff) versus a dialyzate 200 mL of 30 mM sodium acetate, pH 6.03(1 M Sodium chloride stock solution was added drop wise to a conductivity reading of 5 milli-siemens). The dialysis was continued with a fresh dialyzate (200 ml) for 18 hours at 4° C. The resulting solution was filtered using a 0.22 micron 50 ml tube top filter (Corning Inc. Corning N.Y., USA cat #430320). Prior to loading into 70% ethanol/sterile water washed 1 ml PCF (protein crystallization facility) polysulfone sample bottles, the pH was adjusted drop-wise with either 0.1 M acetic acid or 0.1 M sodium hydroxide to final pH 5.95-6.0. The PCF polysulfone sample bottles were stacked and placed in the containment hardware before being placed in a pre-cooled commercial refrigerator module (C-RIM).

Crystallization Processing (Flight).

The fully loaded C-RIM was integrated onto the Space Shuttle Columbia 48 hours prior to launch in a Spacehab modular locker. After launch of STS-107, and once in orbit, the crew initiated the linear temperature ramp program 4-22° C. over 48 hours. Once the terminal temperature was reached, the temperature was maintained at 22° C. for the duration of the remaining 14 days of the flight. The shuttle disintegrated on re-entry, however, some crystal samples were recovered.

Post Flight Processing (Flight).

Sampling for photo microscopy and X-ray crystallographic analysis.

Using a Pasteur glass pipette, aliquots of crystalline suspension from the recovered bottles was harvested for microscopic inspection. These aliquots were examined using photo microscopy using a Nikon SMZ-U microscope/Kodak DSC 402 camera system. In Example 4 is shown a photomicrograph of an observed crystal from flight bottle #285 (70× magnification).

Bio-Physical and Bioactivity Analysis:

Bottle contents were sampled by taking aliquots (100 ul) of crystalline suspension using centrifugation at 5K RPM/5 minutes using an Eppindorf microfuge to separate suspended solids from centrifugate. The supernatant was decanted from the pellet. The pellet was washed with 30 mM sodium acetate, pH 6.05 (2× at 22° C.). Subsequently, the pellet was dissolved in 25 mM sodium phosphate, pH 7.5, 150 mM sodium chloride (2° C.) by vortexing for 30 seconds (5×). The resulting solution was clarified by centrifugation using a 5K RPM/5 minutes using an Eppindorf microfuge to separate suspended solids from centrifugate. The resulting supernatant was characterized by biochemical and bioactivity methods described in example 6.

Example 3 Ground Crystallization Experiments

Pre-Crystallization Processing (Ground).

All operations were performed under clean room conditions at 4° C. 109 mg of lyophilized interferon alpha 2b amorphous solid as described in example 1 was dissolved in 11 ml of 30 mM sodium acetate, pH 6.03 (Fluka BioChemika, Buchs, AG; sodium acetate anhydrous, cat #71183), 1M Sodium chloride (Fluka BioChemika Buchs, AG; sodium chloride anhydrous cat #71376) stock solution was added drop wise to a conductivity reading of 5 milli-siemens) at 4° C. The resulting solution was dialyzed in a Spectrum (Rancho Dominguez, Ca, USA; Spectra/por RC float-a-lyzer cat #235105; 10 thousand molecular weight cutoff) versus a dialyzate 200 ml of 30 mM sodium acetate, pH 6.03 (1 M Sodium chloride stock solution was added drop wise to a conductivity reading of 5 milli-siemens). The dialysis was continued with a fresh dialyzate (200 ml) for 18 hours at 4° C. The resulting solution was filtered using a 0.22 micron 50 ml tube top filter (Corning Inc.; Corning, N.Y.). Prior to loading into 70% ethanol/sterile water washed 1 ml PCF bottles, the pH was adjusted drop wise with either 0.1M acetic acid or 0.1 M sodium hydroxide to final pH 5.95-6.0. The PCF bottles were stacked and placed in the containment hardware before being placed in a pre-cooled commercial refrigerator module (C-RIM).

Crystallization Processing (Ground).

The fully loaded C-RIM was maintained at 4° C. until the linear temperature ramp program 4-22° C. over 48 hours was initiated corresponding to the same time as the flight experiment described in example 2. Once the terminal temperature was reached the temperature was maintained at 22° C. for 8 months (post crystallization processing).

Post Crystallization Processing (Ground).

Sampling for photo microscopy and X-ray crystallographic analysis:

Using a Pasteur glass pipette, aliquots of crystalline suspension from the recovered bottles was harvested for microscopic inspection. These aliquots were examined using photo microscopy using a Nikon SMZ-U microscope/Kodak DSC 402 camera system. In Example 5 is shown a photomicrograph of an observed crystal from a ground bottle #G-III-7 (70× magnification).

Bio-Physical and Bioactivity Analysis:

Bottle contents were sampled by taking aliquots (100 ul) of crystalline suspension using centrifugation at 5K RPM/5 minutes using an Eppindorf microfuge to separate suspended solids from centrifugate. The supernatant was decanted from the pellet. The pellet was washed with 30 mM sodium acetate, pH 6.05 (2×@22° C.). Subsequently, the pellet was dissolved in 25 mM sodium phosphate, pH 7.5, 150 mM sodium chloride (2° C.) by vortexing for 30 seconds (5×). The resulting solution was clarified by centrifugation using a 5K RPM/5 minutes using an Eppindorf microfuge to separate suspended solids from centrifugate. The resulting supernatant was characterized by biochemical and bioactivity methods described in example 6.

Example 4 Photomicrograph of Crystal from Flight Experiment

See FIG. 1.

Example 5 Photomicrograph of Crystal from Ground Based Experiments

See FIG. 2. This photomicrograph was taken with a Nikon SMZ-U microscope/Kodak DSC 402 digital camera. The crystalline suspension was placed on a glass ringed slide, covered and visualized/photographed with polarized light.

Example 6 Crystal Biophysical Characterization Studies

Studies were initiated to characterize the zinc interferon alfa-2b crystals using physical biochemical methods to determine molecular integrity, protein zinc content and retention of biological activity after dissolution.

Protein Assay.

An aliquot (100 ul) of interferon alfa-2b crystals from flight bottle #285 was dialyzed against 2 liters of 35 mM sodium acetate, pH 5.5 at 22° C. for 4 days. The suspension was centrifuged and the wash solution was removed with a Pasteur pipette. The washed crystals were redissolved in a normal saline sodium phosphate solution at 4° C. Protein concentration was determined by a modified Bradford assay using pure human interferon alfa-2b as a reference standard. Bradford assay: A modification of the standard Coomassie blue dye binding assay was used so that the absorbance is directly proportional to protein concentration. Details are in Braford, M. (1976) Anal. Biochem. 72, 248-254.

Mass Spectral Analysis.

An aliquot (100 ul) of interferon alfa-2b crystals from flight bottle #285, 297 and 311 were dialyzed against 2 liters of 35 mM sodium acetate, pH 5.5 at 22° C. for 4 days. The suspension was centrifuged and the wash solution was removed with a Pasteur pipette. The washed crystals were redissolved in a normal saline sodium phosphate solution at 4° C. The supernatants and redissolved pellets were analyzed by MALDI-TOF MS. The derived molecular ions from the redissolved crystal samples were consistent with intact interferon alpha-2b [predicted vs. observed (19,265 vs. 19,261)]. The supernatant samples derived molecular ions were consistent with intact chicken lysozyme [predicted vs. observed (14,300 vs. 14,318)].

Cytopathic Inhibition Assay.

An aliquot of crystalline suspension was centrifuged and washed to remove soluble interferon alfa-2b, dissolved using phosphate buffer and analyzed for specific activity in a standard biological assay for interferon; the cytopathic inhibition assay (CPE). The CPE antiviral activity was determined by a CPE assay using human foreskin diploid fibroblasts and encephalomyocarditis virus (ATCC-VR-129). A detailed description of the assay is provided in S. Rubinstein, P.C. Familetti and S. Petska, J. Virol. 37 (1981)755-758. The redissolved solution yielded a specific activity of 2.0×10⁸ IU/mg. This value is the same as that predicted for the original interferon alfa-2b preparation prior to crystallization, within the limits of the assay (typically within the range 1×10⁸ to 3×10⁸ IU/mg).

N-terminal Analysis.

An aliquot (100 ul) of interferon alfa-2b crystals from flight bottle #285, 297 and 311 were dialyzed against 2 liters of 35 mM sodium acetate, pH 5.5 at 22° C. for 4 days. The suspension was centrifuged and the wash solution was removed with a Pasteur pipette. The washed crystals were redissolved in a normal saline sodium phosphate solution at 4° C. The supernatants and redsissolved pellets were analyzed by N-terminal analysis. The results are shown in table 1 below.

TABLE 1 Sample N-terminal Analysis observed sequence residues Supernatant KVFGRC (chicken egg white lysozyme only) Wash not detected “Redissolved CDLPQT crystals” (interferon only)

From the experimental results described herein, there is clearly no reason to suppose that any chemical changes or any denaturing of the protein took place during the crystallization or reconstitution.

Molar Ratio of Complexed Zinc vs. Interferon Content.

An experiment was designed to determine the molar ratio of complexed zinc vs. interferon molar content. Six crystals from bottle #G-II-7 were transferred into 250 ul of normal saline phosphate buffer GibcoBRL phosphate buffered saline, pH 7.2 Cat #20012-027 Lot #1062284.

Bio-Rad Bradford assay: 3.2 mg/ml samples were subjected to inductively coupled plasma analysis (ICP). Elemental concentrations can be measured to ppb (parts per billion) levels using the inductively coupled plasma emission spectrophotometer (ICP). The ICP spectrophotometer utilizes plasma to excite elemental electrons which produce photons unique to each element. Results are shown in table 2 below:

TABLE 2 Protein IFN:Zinc Concentration ICP ratio Sample (mM) Analysis (mM) Ground 3.2 mg/ml 12 ppm-Zn 0.94-1.0 six crystals (0.17 mM) 4 ppm-Si (0.17-0.18) dissolve in PBS 2 ppm-Al 3 ppm-Ca 10 mM — 827 ppm-Zn 12.3 mM Zn zinc acetate positive control pre-crystallization 5.4 mg/ml 18 ppm-Zn 1:1 interferon control (0.28 mM) (0.28-0.28) PBS — <1 ppm-Zn — negative control

Example 8 Crystallographic Analysis of Ground Based Experiments (Form 1)

Prior to data collection, crystals were washed with the reservoir solution of the crystallization setup and transferred into the same solution with 20% glycerol added. The crystals were then flash-cooled in liquid nitrogen. X-ray diffraction was collected using a synchrotron radiation at the IMCA-CAT beam line ID17 equipped with an ADCS detector. Data were integrated and scaled using the HKL package.

Data collection statistics: Resolution 20.0 − 1.95 Å No. of collected reflections 279123 No. of unique reflections (F >= 0) 93817 R-sym 6.0% Percent of theoretical (l/s >= 1) 92.7% Unit Cell a = 62.2 Å, b = 75.3 Å, c = 149.2 Å, α = 90°, β = 91.4°, γ = 90° Space Group P2₁ Asymmetric unit 6 molecules

Example 9 Structure Determination of Ground-Based Derived Crystals (Form 1)

The crystal structure was solved using molecular replacement using the search models 1 RH2 from the PDB. Refinement was done using the program Refmac.

TABLE 3 Atomic Coordinates of Zn²⁺ Complexed Interferon Alpha 2b Dimer-Crystal Form P2₁ Resolution Limits 20.0 − 1.95 Å Number of reflections in working set 92416 (92.7%) Number of reflections in test set 1401 (1.5%) Number of protein residues 859 Number of solvent atoms 375 Number of ions 6 zinc ions R-factor 0.197 R-free 0.219 RMSD bond length 0.024 Å RMSD bond angles 1.77°

The following table contains one line for each atom of the six alpha-interferon monomers, seven zinc atoms and 375 water molecules in the asymmetric unit of the P2₁-primitiv monoclinic space group. The six monomers are listed sequentially with the first monomer containing residues from 6 to 160 of SEQ ID NO:1, the second monomer from 8 to 156 of SEQ ID NO:1, the third monomer from 6 to 156 of SEQ ID NO:1, the fourth monomer from 9 to 157 of SEQ ID NO:1, the fifth monomer from 3 to 156 of SEQ ID NO:1, and the sixth monomer from 6 to 160 of SEQ ID NO:1. The following 7 atom are the zinc atoms and at the end 375 water molecules are listed. The columns are: 1) residue number, 2) 1-letter amino acid code, 3) atom name, 4) x-coordinate multiplied by 10, 5) y-coordinate multiplied by 10, 6) z-coordinate multiplied by 10, and 7) B-factor.

6 T N 456 746 792 70 6 T CA 452 733 786 70 6 T CB 465 726 782 70 6 T OG1 472 733 771 73 6 T CG2 462 712 775 69 6 T C 444 725 796 69 6 T O 433 729 800 69 7 H N 450 714 801 66 7 H CA 445 705 811 63 7 H CB 456 701 821 63 7 H CG 455 688 826 62 7 H ND1 462 677 821 60 7 H CE1 459 666 828 63 7 H NE2 450 669 837 64 7 H CD2 447 683 836 62 7 H C 433 709 820 61 7 H O 433 719 826 61 8 S N 422 700 820 58 8 S CA 410 704 828 55 8 S CB 398 696 822 56 8 S OG 392 687 831 53 8 S C 413 701 843 54 8 S O 419 690 846 53 9 L N 409 710 851 52 9 L CA 411 710 866 50 9 L CB 407 723 873 51 9 L CG 403 722 888 53 9 L CD1 415 722 898 58 9 L CD2 392 731 893 55 9 L C 402 698 871 47 9 L O 406 692 881 46 10 G N 391 696 865 43 10 G CA 382 686 869 40 10 G C 389 673 867 37 10 G O 387 664 874 35 11 S N 396 672 856 37 11 S CA 404 660 853 36 11 S CB 411 662 840 38 11 S OG 418 651 837 43 11 S C 414 656 864 35 11 S O 416 644 868 34 12 R N 421 666 869 33 12 R CA 431 664 880 32 12 R CB 438 677 883 33 12 R CG 446 683 871 40 12 R CD 458 692 876 43 12 R NE 465 699 865 47 12 R CZ 474 694 857 46 12 R NH1 478 681 858 44 12 R NH2 479 702 847 50 12 R C 424 661 893 30 12 R O 428 653 900 30 13 R N 413 667 895 29 13 R CA 406 665 908 32 13 R CB 395 675 910 33 13 R CG 401 689 914 41 13 R CD 390 700 916 50 13 R NE 386 700 930 61 13 R CZ 380 690 937 63 13 R NH1 378 679 931 69 13 R NH2 377 691 950 64 13 R C 399 651 908 31 13 R O 399 645 918 31 14 T N 395 647 896 28 14 T CA 390 633 895 28 14 T CB 386 630 880 28 14 T OG1 376 640 877 30 14 T CG2 379 617 878 29 14 T C 400 623 899 28 14 T O 397 613 907 27 15 L N 412 624 894 25 15 L CA 423 615 898 28 15 L CB 435 618 889 30 15 L CG 432 613 875 32 15 L CD1 444 617 865 32 15 L CD2 432 597 875 30 15 L C 427 616 913 29 15 L O 430 606 920 29 16 M N 427 629 918 30 16 M CA 430 631 932 31 16 M CB 430 646 935 31 16 M CG 434 651 949 36 16 M SD 419 656 957 56 16 M CE 419 673 953 47 16 M C 419 624 942 31 16 M O 422 617 952 31 17 L N 406 625 938 31 17 L CA 396 619 946 30 17 L CB 382 625 941 30 17 L CG 380 640 945 35 17 L CD1 368 646 936 35 17 L CD2 378 642 960 34 17 L C 396 604 945 31 17 L O 394 598 956 32 18 L N 399 599 933 31 18 L CA 401 585 932 31 18 L CB 405 580 918 32 18 L CG 392 578 910 29 18 L CD1 395 578 895 33 18 L CD2 384 566 915 32 18 L C 413 580 941 34 18 L O 412 570 948 35 19 A N 424 587 941 35 19 A CA 435 584 950 35 19 A CB 447 593 948 35 19 A C 431 585 965 35 19 A O 434 576 973 36 20 Q N 423 595 969 37 20 Q CA 419 596 983 37 20 Q CB 413 610 986 38 20 Q CG 422 621 982 42 20 Q CD 416 634 984 54 20 Q OE1 422 644 988 60 20 Q NE2 403 635 982 57 20 Q C 408 585 987 38 20 Q O 407 583 999 34 21 M N 401 580 977 36 21 M CA 391 569 980 37 21 M CB 383 566 968 37 21 M CG 374 576 966 37 21 M SD 364 572 950 42 21 M CE 361 587 948 32 21 M C 398 556 985 38 21 M O 391 548 991 38 22 R N 410 554 981 38 22 R CA 417 541 983 41 22 R CB 431 542 979 41 22 R CG 438 528 979 42 22 R CD 453 530 978 48 22 R NE 460 519 974 52 22 R CZ 474 517 975 56 22 R NH1 480 507 970 54 22 R NH2 481 527 981 58 22 R C 416 537 998 42 22 R O 418 545 1007 41 23 R N 412 524 1000 43 23 R CA 410 520 1014 46 23 R CB 396 514 1016 45 23 R CG 385 525 1013 48 23 R CD 372 525 1022 52 23 R NE 368 511 1025 62 23 R CZ 355 508 1028 65 23 R NH1 352 495 1030 67 23 R NH2 345 517 1029 66 23 R C 420 509 1017 47 23 R O 425 509 1029 48 24 I N 424 501 1008 49 24 I CA 433 490 1010 52 24 I CB 426 477 1011 52 24 I CG1 418 473 999 50 24 I CD1 415 458 997 51 24 I CG2 416 478 1023 52 24 I C 444 490 999 54 24 I O 442 497 989 55 25 S N 454 481 1000 57 25 S CA 465 481 991 61 25 S CB 479 480 999 61 25 S OG 479 469 1007 61 25 S C 465 469 982 63 25 S O 458 459 985 63 26 A N 472 470 971 67 26 A CA 472 460 960 70 26 A CB 479 466 948 70 26 A C 478 446 964 72 26 A O 480 438 956 73 27 A N 481 444 977 75 27 A CA 486 431 982 76 27 A CB 500 433 988 77 27 A C 476 425 993 77 27 A O 470 433 1001 78 28 S N 475 412 992 77 28 S CA 464 404 997 77 28 S CB 457 411 1009 77 28 S OG 445 405 1012 77 28 S C 455 401 985 76 28 S O 448 390 984 76 29 C N 455 411 976 75 29 C CA 449 410 963 74 29 C CB 442 424 961 73 29 C SG 435 431 976 68 29 C C 460 407 953 74 29 C O 467 416 949 74 30 A N 461 394 949 73 30 A CA 470 390 938 72 30 A CB 483 385 944 72 30 A C 464 380 929 71 30 A O 467 381 916 71 31 A N 456 372 934 69 31 A CA 447 363 926 68 31 A CB 442 352 935 68 31 A C 436 370 919 67 31 A O 429 364 910 67 32 D N 435 383 922 66 32 D CA 424 392 917 64 32 D CB 417 400 928 64 32 D CG 412 391 939 66 32 D OD1 404 382 936 66 32 D OD2 415 393 951 69 32 D C 429 401 905 62 32 D O 420 406 897 61 33 R N 442 404 905 59 33 R CA 448 412 893 58 33 R CB 463 410 893 59 33 R CG 468 396 888 63 33 R CD 476 396 875 71 33 R NE 468 397 863 76 33 R CZ 472 397 850 78 33 R NH1 485 395 848 79 33 R NH2 464 398 840 76 33 R C 441 407 880 55 33 R O 438 395 878 54 34 H N 439 416 871 51 34 H CA 431 413 859 48 34 H CB 416 413 863 48 34 H CG 407 407 852 51 34 H ND1 401 415 843 54 34 H CE1 394 407 835 55 34 H NE2 395 394 840 57 34 H CD2 403 394 851 55 34 H C 434 424 847 45 34 H O 435 436 850 45 35 D N 435 419 835 40 35 D CA 436 429 824 36 35 D CB 448 425 814 36 35 D CG 451 435 804 37 35 D OD1 462 434 798 38 35 D OD2 443 444 800 32 35 D C 423 430 816 35 35 D O 418 421 810 33 36 F N 417 442 818 31 36 F CA 404 445 812 29 36 F CB 397 456 821 29 36 F CG 394 451 835 29 36 F CD1 404 455 845 28 36 F CE1 401 451 858 30 36 F CZ 389 443 861 29 36 F CE2 380 440 851 25 36 F CD2 383 444 838 26 36 F C 405 450 798 28 36 F O 394 452 792 27 37 G N 417 451 792 27 37 G CA 417 454 778 27 37 G C 411 467 774 27 37 G O 403 469 765 29 38 F N 416 478 781 27 38 F CA 411 491 778 27 38 F CB 417 501 789 26 38 F CG 414 515 787 29 38 F CD1 400 520 788 26 38 F CE1 397 533 786 30 38 F CZ 406 542 783 28 38 F CE2 420 538 781 31 38 F CD2 423 525 783 29 38 F C 416 496 764 27 38 F O 427 495 761 29 39 P N 406 500 756 28 39 P CA 410 504 742 28 39 P CB 396 505 735 28 39 P CG 386 509 747 27 39 P CD 392 502 759 25 39 P C 417 518 741 28 39 P O 411 528 736 30 40 Q N 429 518 747 29 40 Q CA 436 531 747 30 40 Q CB 449 529 755 30 40 Q CG 459 521 747 31 40 Q CD 472 520 755 38 40 Q OE1 472 515 766 35 40 Q NE2 483 526 749 40 40 Q C 439 537 733 29 40 Q O 441 549 732 31 41 E N 438 528 723 29 41 E CA 440 533 709 30 41 E CB 441 521 699 29 41 E CG 427 514 696 31 41 E CD 423 504 707 28 41 E OE1 431 503 717 32 41 E OE2 413 498 706 29 41 E C 430 543 705 31 41 E O 432 551 696 32 42 E N 418 542 711 31 42 E CA 408 552 707 32 42 E CB 394 550 713 30 42 E CG 388 537 713 39 42 E CD 388 530 701 43 42 E OE1 383 534 691 47 42 E OE2 395 519 701 56 42 E C 411 566 710 34 42 E O 403 575 706 33 43 F N 420 568 719 35 43 F CA 424 581 724 41 43 F CB 425 582 740 37 43 F CG 412 577 746 38 43 F CD1 409 564 748 36 43 F CE1 398 560 754 38 43 F CZ 389 570 758 40 43 F CE2 392 583 756 33 43 F CD2 403 587 750 42 43 F C 437 587 718 44 43 F O 440 598 721 47 44 G N 444 579 710 46 44 G CA 457 583 706 51 44 G C 459 590 693 53 44 G O 450 595 686 54 45 N N 472 591 689 55 45 N CA 477 600 678 55 45 N CB 492 599 677 57 45 N CG 499 610 685 61 45 N OD1 493 617 693 66 45 N ND2 512 611 683 65 45 N C 471 597 664 54 45 N O 472 605 655 54 46 Q N 465 585 663 52 46 Q CA 459 582 650 52 46 Q CB 459 567 647 52 46 Q CG 447 560 653 55 46 Q CD 447 545 648 57 46 Q OE1 457 539 649 53 46 Q NE2 437 541 641 60 46 Q C 446 590 647 51 46 Q O 442 591 636 49 47 F N 441 597 658 50 47 F CA 429 605 657 51 47 F CB 418 599 666 50 47 F CG 415 585 663 49 47 F CD1 409 582 651 50 47 F CE1 405 569 647 50 47 F CZ 408 559 656 49 47 F CE2 414 562 669 47 47 F CD2 418 575 672 45 47 F C 432 620 660 52 47 F O 440 623 669 53 48 A N 424 629 654 52 48 A CA 424 643 658 53 48 A CB 416 651 647 53 48 A C 417 644 671 53 48 A O 409 636 676 53 49 A N 422 654 679 53 49 A CA 417 657 692 53 49 A CB 423 671 698 53 49 A C 402 657 693 52 49 A O 396 649 701 52 50 A N 396 664 684 50 50 A CA 381 665 683 49 50 A CB 377 675 672 50 50 A C 375 652 680 47 50 A O 363 650 684 47 51 E N 382 642 674 45 51 E CA 377 629 671 43 51 E CB 386 622 661 44 51 E CG 384 624 646 51 51 E CD 395 617 638 58 51 E OE1 406 623 636 57 51 E OE2 393 605 635 58 51 E C 376 620 684 40 51 E O 369 610 684 41 52 T N 384 624 694 36 52 T CA 384 616 706 35 52 T CB 398 616 712 34 52 T OG1 401 629 716 36 52 T CG2 408 611 701 35 52 T C 374 621 717 34 52 T O 372 614 726 32 53 I N 368 633 715 32 53 I CA 359 638 725 32 53 I CB 353 652 721 33 53 I CG1 365 662 721 35 53 I CD1 373 660 733 40 53 I CG2 343 656 731 32 53 I C 347 628 727 29 53 I O 344 626 739 30 54 P N 341 622 717 28 54 P CA 330 613 719 29 54 P CB 327 607 705 28 54 P CG 332 620 696 28 54 P CD 344 624 703 30 54 P C 334 602 729 27 54 P O 326 598 738 25 55 V N 346 596 727 26 55 V CA 351 586 736 28 55 V CB 363 578 729 30 55 V CG1 368 568 738 31 55 V CG2 357 570 718 35 55 V C 355 590 750 26 55 V O 352 583 760 24 56 L N 361 602 752 25 56 L CA 363 607 765 24 56 L CB 372 619 764 24 56 L CG 374 626 778 29 56 L CD1 382 617 787 27 56 L CD2 382 639 775 35 56 L C 350 610 772 22 56 L O 349 607 784 23 57 H N 341 615 765 22 57 H CA 328 618 771 23 57 H CB 319 625 760 23 57 H CG 305 629 765 25 57 H ND1 294 621 763 26 57 H CE1 284 627 768 29 57 H NE2 287 638 773 29 57 H CD2 301 640 771 27 57 H C 321 606 776 24 57 H O 316 605 788 22 58 E N 320 595 768 24 58 E CA 315 582 772 25 58 E CB 315 572 760 24 58 E CG 307 559 764 24 58 E CD 292 561 765 27 58 E OE1 285 554 773 29 58 E OE2 286 570 758 28 58 E C 322 577 784 25 58 E O 316 571 793 25 59 M N 336 577 784 25 59 M CA 343 572 795 25 59 M CB 358 576 792 28 59 M CG 368 571 802 39 59 M SD 371 554 799 48 59 M CE 387 556 810 44 59 M C 339 580 809 25 59 M O 337 573 819 24 60 I N 337 593 808 23 60 I CA 333 600 820 24 60 I CB 334 615 818 23 60 I CG1 349 619 816 26 60 I CD1 351 631 808 32 60 I CG2 327 624 829 23 60 I C 319 596 824 23 60 I O 317 594 836 26 61 Q N 310 595 815 23 61 Q CA 297 591 819 22 61 Q CB 287 591 807 23 61 Q CG 274 584 810 25 61 Q CD 264 593 818 29 61 Q OE1 257 588 828 30 61 Q NE2 264 606 815 24 61 Q C 297 577 825 22 61 Q O 291 574 835 25 62 Q N 305 568 819 22 62 Q CA 306 554 825 22 62 Q CB 314 545 815 23 62 Q CG 307 542 801 26 62 Q CD 293 535 804 31 62 Q OE1 292 527 813 33 62 Q NE2 283 538 796 30 62 Q C 313 554 838 23 62 Q O 309 546 847 23 63 I N 323 562 840 24 63 I CA 328 563 854 23 63 I CB 340 573 854 22 63 I CG1 352 566 847 24 63 I CD1 363 577 843 27 63 I CG2 345 576 869 23 63 I C 318 567 864 24 63 I O 316 562 875 24 64 F N 309 577 860 25 64 F CA 298 581 869 24 64 F CB 290 592 863 25 64 F CG 277 595 870 28 64 F CD1 277 602 883 26 64 F CE1 265 603 890 30 64 F CZ 253 598 885 26 64 F CE2 253 590 873 26 64 F CD2 265 589 865 26 64 F C 289 569 871 26 64 F O 284 566 883 29 65 N N 285 562 860 25 65 N CA 276 550 862 27 65 N CB 273 543 849 26 65 N CG 266 551 838 26 65 N OD1 266 547 826 30 65 N ND2 259 562 843 21 65 N C 281 540 872 28 65 N O 273 535 880 28 66 L N 294 538 870 27 66 L CA 301 528 879 27 66 L CB 315 525 873 27 66 L CG 325 516 882 31 66 L CD1 319 501 882 32 66 L CD2 340 516 876 27 66 L C 301 531 893 28 66 L O 300 523 902 28 67 F N 304 544 896 27 67 F CA 306 548 910 28 67 F CB 318 558 911 27 67 F CG 331 551 910 28 67 F CD1 338 549 898 26 67 F CE1 351 543 897 29 67 F CZ 357 538 908 32 67 F CE2 350 540 921 34 67 F CD2 337 546 922 32 67 F C 294 553 917 28 67 F O 295 557 928 30 68 S N 283 553 910 29 68 S CA 270 559 915 29 68 S CB 264 569 906 27 68 S OG 260 564 894 27 68 S C 260 549 919 32 68 S O 248 552 922 34 69 T N 264 536 919 31 69 T CA 254 526 923 33 69 T CB 258 512 917 30 69 T OG1 271 508 923 35 69 T CG2 261 512 901 31 69 T C 253 524 938 34 69 T O 262 529 945 32 70 A N 244 516 942 35 70 A CA 243 513 957 36 70 A CB 230 505 960 37 70 A C 255 505 961 35 70 A O 260 507 972 35 71 D N 260 496 952 35 71 D CA 273 489 955 35 71 D CB 276 479 945 35 71 D CG 264 470 942 38 71 D OD1 263 460 950 43 71 D OD2 256 472 933 42 71 D C 285 498 957 35 71 D O 293 495 966 36 72 S N 286 509 949 35 72 S CA 297 518 951 34 72 S CB 297 528 939 33 72 S OG 308 537 942 36 72 S C 295 526 964 33 72 S O 305 528 971 32 73 S N 283 530 967 35 73 S CA 280 537 980 38 73 S CB 266 541 981 39 73 S OG 263 551 971 45 73 S C 284 529 992 39 73 S O 288 534 1003 39 74 A N 285 515 991 39 74 A CA 289 507 1002 39 74 A CB 281 493 1000 39 74 A C 304 504 1003 40 74 A O 309 500 1014 40 75 A N 311 507 992 36 75 A CA 325 504 991 36 75 A CB 329 498 977 36 75 A C 334 517 994 35 75 A O 345 515 998 36 76 W N 328 529 992 34 76 W CA 337 541 992 34 76 W CB 338 547 978 33 76 W CG 343 537 968 31 76 W CD1 336 532 957 27 76 W NE1 344 522 950 29 76 W CE2 356 521 957 29 76 W CD2 356 530 968 33 76 W CE3 367 531 976 32 76 W CZ3 378 523 973 33 76 W CH2 378 514 962 35 76 W CZ2 367 513 954 30 76 W C 331 552 1001 35 76 W O 319 552 1004 32 77 D N 340 561 1005 36 77 D CA 335 573 1013 38 77 D CB 347 581 1017 37 77 D CG 343 592 1027 43 77 D OD1 340 604 1023 41 77 D OD2 341 589 1039 46 77 D C 324 581 1007 39 77 D O 326 587 996 38 78 E N 313 583 1014 38 78 E CA 302 591 1009 40 78 E CB 291 592 1020 42 78 E CG 279 599 1015 44 78 E CD 267 599 1026 54 78 E OE1 256 602 1022 58 78 E OE2 270 596 1038 53 78 E C 306 605 1005 39 78 E O 301 610 995 38 79 T N 314 612 1013 38 79 T CA 317 625 1010 39 79 T CB 325 631 1022 40 79 T OG1 316 631 1033 45 79 T CG2 328 646 1021 41 79 T C 326 626 997 35 79 T O 324 635 990 35 80 L N 336 617 996 35 80 L CA 345 617 985 35 80 L CB 356 607 987 35 80 L CG 366 611 998 36 80 L CD1 377 600 997 34 80 L CD2 373 625 995 35 80 L C 337 614 972 33 80 L O 338 621 961 33 81 L N 327 605 973 34 81 L CA 318 602 962 33 81 L CB 308 590 965 33 81 L CG 315 576 965 31 81 L CD1 305 564 970 35 81 L CD2 322 572 951 31 81 L C 311 614 957 33 81 L O 310 616 945 32 82 D N 305 621 967 34 82 D CA 297 633 962 34 82 D CB 289 638 974 37 82 D CG 284 652 972 40 82 D OD1 274 654 965 45 82 D OD2 290 662 977 44 82 D C 305 643 955 33 82 D O 301 649 945 33 83 K N 318 645 960 32 83 K CA 326 655 953 31 83 K CB 339 658 961 33 83 K CG 337 666 974 36 83 K CD 350 667 982 43 83 K CE 348 675 995 51 83 K NZ 357 671 1006 54 83 K C 331 649 939 30 83 K O 333 657 930 30 84 F N 333 636 939 28 84 F CA 337 629 926 29 84 F CB 339 614 929 28 84 F CG 345 605 918 30 84 F CD1 357 607 913 29 84 F CE1 363 598 904 31 84 F CZ 356 587 899 27 84 F CE2 343 585 905 31 84 F CD2 338 594 914 28 84 F C 326 631 915 29 84 F O 329 636 904 29 85 Y N 313 629 919 30 85 Y CA 303 631 909 28 85 Y CB 289 629 915 27 85 Y CG 287 615 922 29 85 Y CD1 294 604 918 24 85 Y CE1 292 592 924 30 85 Y CZ 283 591 935 31 85 Y OH 282 579 942 27 85 Y CE2 277 602 940 34 85 Y CD2 278 614 933 28 85 Y C 303 645 904 29 85 Y O 300 648 892 27 86 T N 305 655 913 29 86 T CA 305 669 909 31 86 T CB 307 678 922 32 86 T OG1 294 679 928 36 86 T CG2 309 693 917 35 86 T C 315 671 898 29 86 T O 313 679 887 29 87 E N 327 666 900 27 87 E CA 337 668 889 27 87 E CB 350 662 894 28 87 E CG 356 668 907 31 87 E CD 358 684 906 39 87 E OE1 361 689 895 35 87 E OE2 356 691 916 42 87 E C 334 661 876 26 87 E O 336 666 865 26 88 L N 328 649 877 26 88 L CA 323 642 865 26 88 L CB 318 628 869 26 88 L CG 329 620 875 23 88 L CD1 322 607 881 26 88 L CD2 340 616 865 27 88 L C 312 650 857 27 88 L O 314 652 846 27 89 Y N 302 656 864 26 89 Y CA 292 664 857 28 89 Y CB 281 670 867 26 89 Y CG 275 661 876 31 89 Y CD1 272 647 872 30 89 Y CE1 266 639 881 30 89 Y CZ 262 643 894 32 89 Y OH 256 634 902 31 89 Y CE2 265 656 898 30 89 Y CD2 271 665 889 29 89 Y C 298 675 850 29 89 Y O 294 679 839 28 90 Q N 308 682 856 31 90 Q CA 314 694 850 32 90 Q CB 322 701 860 33 90 Q CG 327 716 856 42 90 Q CD 315 725 851 49 90 Q OE1 316 732 841 51 90 Q NE2 303 725 858 51 90 Q C 322 691 838 30 90 Q O 322 698 828 29 91 Q N 330 680 838 29 91 Q CA 337 676 826 27 91 Q CB 346 664 829 27 91 Q CG 357 668 838 28 91 Q CD 365 656 843 29 91 Q OE1 374 652 837 30 91 Q NE2 361 651 855 29 91 Q C 327 672 814 26 91 Q O 330 675 803 27 92 L N 316 666 817 24 92 L CA 306 662 807 27 92 L CB 294 654 814 26 92 L CG 297 640 818 26 92 L CD1 286 634 826 27 92 L CD2 300 631 805 27 92 L C 301 676 801 27 92 L O 300 677 789 28 93 N N 298 685 810 29 93 N CA 292 698 807 31 93 N CB 290 707 819 33 93 N CG 286 721 816 36 93 N OD1 276 726 821 50 93 N ND2 294 728 809 44 93 N C 302 705 797 31 93 N O 298 710 787 32 94 D N 315 706 801 32 94 D CA 325 712 792 33 94 D CB 338 713 799 33 94 D CG 338 722 812 38 94 D OD1 329 729 814 46 94 D OD2 347 721 821 45 94 D C 327 706 779 32 94 D O 327 714 769 34 95 L N 327 693 778 31 95 L CA 328 686 765 31 95 L CB 330 671 767 30 95 L CG 343 668 775 34 95 L CD1 343 653 778 31 95 L CD2 356 672 767 34 95 L C 316 688 756 31 95 L O 318 691 744 32 96 E N 304 688 762 31 96 E CA 292 690 754 32 96 E CB 280 687 763 30 96 E CG 279 672 766 30 96 E CD 269 669 778 32 96 E OE1 262 678 782 30 96 E OE2 269 657 782 32 96 E C 291 704 750 34 96 E O 286 707 738 33 97 A N 294 714 759 36 97 A CA 291 728 756 38 97 A CB 295 737 769 38 97 A C 300 732 744 40 97 A O 296 739 735 41 98 C N 312 726 744 42 98 C CA 322 729 733 45 98 C CB 335 722 735 44 98 C SG 345 734 746 56 98 C C 316 725 719 45 98 C O 317 732 709 46 99 V N 310 713 719 43 99 V CA 304 708 706 43 99 V CB 303 692 705 43 99 V CG1 290 687 711 45 99 V CG2 303 688 690 44 99 V C 291 716 702 44 99 V O 290 718 690 42 100 I N 283 719 711 43 100 I CA 271 727 708 44 100 I CB 262 729 721 45 100 I CG1 256 715 726 44 100 I CD1 247 708 715 50 100 I CG2 250 739 719 44 100 I C 275 741 703 45 100 I O 267 747 695 45 101 Q N 286 746 707 46 101 Q CA 292 759 701 48 101 Q CB 299 766 712 48 101 Q CG 289 774 721 54 101 Q CD 295 781 733 60 101 Q OE1 289 791 738 63 101 Q NE2 306 775 738 59 101 Q C 301 757 689 49 101 Q O 307 766 685 48 102 G N 300 745 683 50 102 G CA 306 742 670 55 102 G C 321 740 670 58 102 G O 327 737 660 58 103 V N 327 740 682 62 103 V CA 342 737 684 65 103 V CB 347 741 698 65 103 V CG1 362 737 700 66 103 V CG2 345 755 701 67 103 V C 344 723 679 68 103 V O 339 714 685 68 104 G N 352 721 669 71 104 G CA 356 708 663 75 104 G C 346 701 655 77 104 G O 346 689 654 78 105 V N 337 708 648 79 105 V CA 326 701 641 82 105 V CB 311 705 646 82 105 V CG1 310 704 661 81 105 V CG2 308 720 642 83 105 V C 327 701 625 83 105 V O 321 709 618 84 106 A N 336 692 621 84 106 A CA 339 691 606 85 106 A CB 352 682 604 85 106 A C 327 685 598 85 106 A O 323 691 588 85 110 A N 321 618 609 62 110 A CA 321 620 623 62 110 A CB 314 633 626 62 110 A C 313 608 631 61 110 A O 304 611 639 63 111 N N 316 596 627 61 111 N CA 310 584 633 58 111 N CB 303 575 621 59 111 N CG 294 564 627 63 111 N OD1 298 555 634 62 111 N ND2 281 565 623 66 111 N C 319 576 642 55 111 N O 330 571 637 55 112 K N 315 575 654 50 112 K CA 323 569 664 44 112 K CB 329 580 674 44 112 K CG 339 590 667 48 112 K CD 350 583 659 51 112 K CE 362 580 669 53 112 K NZ 375 577 662 56 112 K C 315 560 672 38 112 K O 318 557 683 35 113 E N 304 555 665 36 113 E CA 295 547 673 35 113 E CB 283 543 665 36 113 E CG 273 554 662 44 113 E CD 268 560 676 49 113 E OE1 262 553 684 53 113 E OE2 272 572 678 54 113 E C 301 534 679 33 113 E O 298 530 690 33 114 D N 310 527 671 29 114 D CA 317 515 676 30 114 D CB 324 508 664 30 114 D CG 314 502 654 38 114 D OD1 317 502 642 43 114 D OD2 303 497 658 43 114 D C 327 518 686 27 114 D O 329 510 696 28 115 S N 334 529 686 27 115 S CA 343 533 696 29 115 S CB 351 545 692 29 115 S OG 360 542 681 33 115 S C 336 536 709 28 115 S O 341 533 720 29 116 I N 325 543 708 27 116 I CA 317 546 720 27 116 I CB 304 554 716 27 116 I CG1 308 569 715 29 116 I CD1 297 577 707 31 116 I CG2 293 554 728 27 116 I C 313 533 726 27 116 I O 314 531 738 27 117 L N 308 523 717 28 117 L CA 305 510 723 27 117 L CB 298 501 711 28 117 L CG 295 487 715 35 117 L CD1 283 486 725 41 117 L CD2 291 478 703 45 117 L C 317 503 728 27 117 L O 315 495 738 27 118 A N 329 504 723 26 118 A CA 341 498 729 26 118 A CB 354 501 720 26 118 A C 343 503 743 26 118 A O 347 495 752 27 119 V N 341 516 746 26 119 V CA 342 521 760 25 119 V CB 341 536 760 26 119 V CG1 341 542 775 26 119 V CG2 352 543 752 29 119 V C 331 514 768 26 119 V O 334 510 779 24 120 R N 319 513 763 25 120 R CA 309 506 771 27 120 R CB 296 506 764 28 120 R CG 290 520 762 31 120 R CD 275 521 759 33 120 R NE 273 535 757 31 120 R CZ 265 540 747 35 120 R NH1 257 532 740 32 120 R NH2 264 553 746 28 120 R C 312 492 774 25 120 R O 309 487 785 25 121 K N 318 485 765 26 121 K CA 321 471 767 27 121 K CB 325 464 753 26 121 K CG 313 461 745 29 121 K CD 317 457 730 36 121 K CE 305 452 721 40 121 K NZ 299 440 727 44 121 K C 332 469 777 26 121 K O 333 460 785 26 122 Y N 342 479 777 25 122 Y CA 352 479 787 25 122 Y CB 362 491 785 24 122 Y CG 370 495 796 25 122 Y CD1 369 507 802 26 122 Y CE1 377 511 813 26 122 Y CZ 388 503 817 27 122 Y OH 396 507 827 28 122 Y CE2 390 491 810 25 122 Y CD2 382 487 800 24 122 Y C 346 480 801 25 122 Y O 349 472 811 25 123 F N 336 489 803 25 123 F CA 330 490 816 25 123 F CB 322 504 817 23 123 F CG 331 515 820 25 123 F CD1 333 518 834 25 123 F CE1 343 529 837 27 123 F CZ 349 536 826 25 123 F CE2 346 532 812 27 123 F CD2 337 522 810 24 123 F C 320 478 820 25 123 F O 319 474 831 26 124 Q N 315 472 809 25 124 Q CA 308 460 812 26 124 Q CB 301 455 799 27 124 Q CG 289 464 795 28 124 Q CD 283 461 780 39 124 Q OE1 289 453 773 37 124 Q NE2 272 468 777 43 124 Q C 317 449 817 28 124 Q O 313 442 827 28 125 R N 329 447 812 28 125 R CA 338 438 817 28 125 R CB 351 438 809 30 125 R CG 349 433 794 28 125 R CD 362 430 787 28 125 R NE 370 442 783 27 125 R CZ 367 449 772 27 125 R NH1 357 446 764 28 125 R NH2 376 459 769 25 125 R C 342 442 831 29 125 R O 343 433 840 28 126 I N 344 454 834 27 126 I CA 346 458 848 27 126 I CB 349 474 849 27 126 I CG1 363 477 843 31 126 I CD1 366 491 841 33 126 I CG2 349 478 864 29 126 I C 334 455 857 29 126 I O 336 450 869 30 127 T N 322 457 853 29 127 T CA 310 455 861 32 127 T CB 298 461 853 32 127 T OG1 298 475 855 38 127 T CG2 285 456 860 40 127 T C 308 440 863 32 127 T O 305 436 874 34 128 L N 310 432 853 30 128 L CA 309 417 854 32 128 L CB 311 410 841 30 128 L CG 309 395 840 36 128 L CD1 296 390 847 40 128 L CD2 310 389 826 38 128 L C 320 412 864 32 128 L O 317 403 873 32 129 Y N 332 418 863 32 129 Y CA 342 415 873 32 129 Y CB 356 422 869 33 129 Y CG 367 421 879 31 129 Y CD1 376 411 879 34 129 Y CE1 386 410 888 37 129 Y CZ 387 420 898 37 129 Y OH 397 419 907 36 129 Y CE2 378 430 898 35 129 Y CD2 368 430 889 33 129 Y C 338 417 887 33 129 Y O 341 408 896 35 130 L N 332 429 890 32 130 L CA 328 432 904 33 130 L CB 323 446 906 32 130 L CG 334 457 906 34 130 L CD1 327 470 904 33 130 L CD2 342 456 919 32 130 L C 317 422 909 35 130 L O 317 417 921 34 131 K N 308 419 900 36 131 K CA 296 410 903 39 131 K CB 287 410 892 40 131 K CG 275 400 893 45 131 K CD 268 400 879 55 131 K CE 253 395 881 60 131 K NZ 254 381 887 64 131 K C 302 396 906 41 131 K O 299 390 917 42 132 E N 311 391 898 40 132 E CA 317 378 900 42 132 E CB 324 373 887 43 132 E CG 314 370 876 47 132 E CD 319 364 863 55 132 E OE1 331 365 859 55 132 E OE2 310 359 855 59 132 E C 325 376 913 42 132 E O 326 365 919 41 133 K N 331 387 917 40 133 K CA 339 387 930 40 133 K CB 351 396 928 39 133 K CG 360 393 917 44 133 K CD 370 382 919 49 133 K CE 382 383 911 52 133 K NZ 391 371 911 56 133 K C 331 391 941 38 133 K O 336 394 952 39 134 K N 318 392 939 38 134 K CA 308 397 948 39 134 K CB 303 386 958 41 134 K CG 303 372 951 46 134 K CD 300 361 962 55 134 K CE 313 356 969 58 134 K NZ 311 343 977 62 134 K C 313 410 956 39 134 K O 311 412 968 36 135 Y N 318 419 948 39 135 Y CA 321 433 953 38 135 Y CB 308 440 956 38 135 Y CG 300 442 944 42 135 Y CD1 290 432 941 45 135 Y CE1 282 433 930 45 135 Y CZ 284 444 922 43 135 Y OH 276 444 911 41 135 Y CE2 293 454 924 41 135 Y CD2 302 452 935 40 135 Y C 330 433 964 38 135 Y O 328 441 973 39 136 S N 340 424 964 39 136 S CA 348 424 976 42 136 S CB 357 412 976 42 136 S OG 366 412 964 43 136 S C 357 436 977 43 136 S O 360 442 966 43 137 P N 362 440 989 44 137 P CA 372 451 990 44 137 P CB 377 449 1005 44 137 P CG 365 444 1013 45 137 P CD 357 435 1002 44 137 P C 384 450 980 44 137 P O 388 460 974 45 138 C N 389 438 978 43 138 C CA 400 436 969 43 138 C CB 405 422 970 44 138 C SG 418 420 983 58 138 C C 396 438 954 41 138 C O 405 443 947 38 139 A N 384 434 950 38 139 A CA 380 435 937 36 139 A CB 368 427 934 36 139 A C 377 450 934 35 139 A O 380 455 924 34 140 W N 371 456 944 33 140 W CA 369 471 943 34 140 W CB 361 476 955 32 140 W CG 346 478 952 35 140 W CD1 336 471 959 34 140 W NE1 324 476 953 34 140 W CE2 326 485 943 35 140 W CD2 340 486 942 35 140 W CE3 345 495 932 32 140 W CZ3 336 502 924 34 140 W CH2 322 500 926 36 140 W CZ2 317 492 935 35 140 W C 383 479 942 34 140 W O 383 490 935 32 141 E N 393 475 950 35 141 E CA 406 481 948 35 141 E CB 415 477 960 36 141 E CG 430 481 958 35 141 E CD 431 497 956 36 141 E OE1 422 504 961 35 141 E OE2 442 501 951 41 141 E C 412 479 935 34 141 E O 419 488 929 34 142 V N 412 466 929 32 142 V CA 416 464 915 33 142 V CB 413 449 911 32 142 V CG1 413 447 896 34 142 V CG2 422 439 918 34 142 V C 408 474 905 33 142 V O 415 480 897 32 143 V N 395 475 907 31 143 V CA 388 484 898 31 143 V CB 373 482 901 29 143 V CG1 364 492 894 30 143 V CG2 370 467 895 29 143 V C 391 499 900 30 143 V O 394 506 891 31 144 R N 392 503 913 30 144 R CA 396 517 915 30 144 R CB 398 520 930 31 144 R CG 399 535 934 30 144 R CD 406 537 948 31 144 R NE 418 529 948 32 144 R CZ 430 534 943 38 144 R NH1 430 547 939 37 144 R NH2 441 527 942 42 144 R C 410 520 909 30 144 R O 411 531 902 29 145 A N 419 511 911 29 145 A CA 433 513 905 31 145 A CB 443 502 909 30 145 A C 432 513 890 30 145 A O 440 520 883 33 146 E N 424 504 884 28 146 E CA 423 503 870 28 146 E CB 413 491 867 30 146 E CG 408 491 852 29 146 E CD 419 489 842 33 146 E OE1 417 493 830 32 146 E OE2 430 484 845 35 146 E C 417 516 863 26 146 E O 422 520 853 27 147 I N 407 522 870 24 147 I CA 401 534 865 26 147 I CB 387 537 872 28 147 I CG1 378 526 868 26 147 I CD1 374 524 852 28 147 I CG2 382 552 868 26 147 I C 411 546 866 27 147 I O 411 555 857 27 148 M N 418 546 877 28 148 M CA 429 557 878 30 148 M CB 438 556 890 31 148 M CG 432 564 900 39 148 M SD 442 567 914 50 148 M CE 453 582 908 43 148 M C 438 556 866 29 148 M O 441 566 860 27 149 R N 442 544 863 30 149 R CA 451 541 852 29 149 R CB 456 526 852 31 149 R CG 466 521 842 34 149 R CD 466 505 840 40 149 R NE 454 500 834 42 149 R CZ 452 501 821 47 149 R NH1 461 505 812 46 149 R NH2 440 497 816 44 149 R C 445 545 838 30 149 R O 451 552 830 28 150 S N 433 540 835 28 150 S CA 427 542 822 28 150 S CB 417 532 819 27 150 S OG 405 534 828 25 150 S C 423 557 821 29 150 S O 423 562 810 29 151 F N 418 563 831 28 151 F CA 413 577 830 28 151 F CB 406 581 843 27 151 F CG 400 595 841 26 151 F CD1 390 597 832 33 151 F CE1 384 611 830 36 151 F CZ 390 621 838 31 151 F CE2 400 619 847 33 151 F CD2 405 606 848 30 151 F C 425 586 828 31 151 F O 425 595 819 28 152 S N 436 584 835 33 152 S CA 448 591 834 39 152 S CB 458 587 844 36 152 S OG 470 593 840 47 152 S C 453 590 819 40 152 S O 456 600 813 41 153 L N 454 578 815 43 153 L CA 459 574 801 45 153 L CB 458 559 799 46 153 L CG 465 551 789 50 153 L CD1 480 554 787 50 153 L CD2 463 536 793 49 153 L C 451 581 791 46 153 L O 457 588 782 47 154 S N 438 580 791 44 154 S CA 428 586 782 45 154 S CB 414 579 784 44 154 S OG 406 586 793 46 154 S C 428 602 783 44 154 S O 426 609 774 45 155 T N 431 608 795 41 155 T CA 432 622 794 42 155 T CB 429 628 808 42 155 T OG1 436 620 817 41 155 T CG2 415 626 812 39 155 T C 445 626 789 45 155 T O 446 636 782 44 156 N N 456 619 792 47 156 N CA 470 623 788 51 156 N CB 481 616 795 51 156 N CG 482 620 810 55 156 N OD1 490 614 817 61 156 N ND2 475 631 813 57 156 N C 471 622 773 53 156 N O 475 632 766 54 157 L N 467 611 767 54 157 L CA 467 609 753 56 157 L CB 463 595 749 56 157 L CG 474 584 750 57 157 L CD1 468 571 754 56 157 L CD2 482 584 737 60 157 L C 458 619 746 57 157 L O 462 626 737 56 158 Q N 445 620 751 59 158 Q CA 435 629 745 63 158 Q CB 422 629 753 63 158 Q CG 409 634 746 66 158 Q CD 409 649 745 68 158 Q OE1 414 657 754 70 158 Q NE2 403 654 734 71 158 Q C 440 643 742 64 158 Q O 436 649 732 64 159 E N 448 649 751 66 159 E CA 452 663 750 68 159 E CB 453 669 764 68 159 E CG 467 667 771 69 159 E CD 467 675 784 71 159 E OE1 478 675 790 70 159 E OE2 457 681 788 75 159 E C 465 666 742 69 159 E O 467 677 737 69 160 S N 474 656 741 70 160 S CA 487 658 733 71 160 S CB 498 648 738 72 160 S OG 495 635 733 72 160 S C 484 657 718 72 160 S O 493 659 710 73 160 S OXT 474 654 713 72 8 A N 371 355 511 54 8 A CA 358 350 515 53 8 A CB 348 353 504 54 8 A C 359 335 517 52 8 A O 356 330 528 52 9 L N 362 328 506 51 9 L CA 363 314 506 50 9 L CB 364 308 492 51 9 L CG 366 292 490 56 9 L CD1 355 283 497 58 9 L CD2 366 289 475 61 9 L C 374 309 516 48 9 L O 373 299 523 47 10 G N 385 317 516 45 10 G CA 397 315 525 42 10 G C 392 316 539 41 10 G O 396 308 548 39 11 S N 384 326 542 39 11 S CA 381 328 556 40 11 S CB 376 342 558 40 11 S OG 364 344 552 45 11 S C 371 317 560 38 11 S O 371 312 572 37 12 R N 362 312 551 38 12 R CA 354 301 554 38 12 R CB 343 298 544 38 12 R CG 332 309 544 45 12 R CD 321 306 533 49 12 R NE 321 317 524 59 12 R CZ 322 316 511 60 12 R NH1 322 327 503 66 12 R NH2 323 304 505 61 12 R C 361 288 557 37 12 R O 357 280 566 35 13 R N 372 285 550 36 13 R CA 380 274 552 36 13 R CB 391 272 541 37 13 R CG 385 267 528 45 13 R CD 395 260 519 57 13 R NE 392 262 504 67 13 R CZ 397 272 497 71 13 R NH1 394 273 484 74 13 R NH2 406 281 503 71 13 R C 387 275 565 34 13 R O 389 265 573 33 14 T N 392 287 569 32 14 T CA 398 289 581 31 14 T CB 403 303 582 32 14 T OG1 413 305 572 35 14 T CG2 410 307 595 28 14 T C 389 285 593 31 14 T O 393 279 603 30 15 L N 377 290 593 30 15 L CA 367 288 603 31 15 L CB 354 296 600 30 15 L CG 354 311 603 31 15 L CD1 341 318 598 33 15 L CD2 357 313 618 30 15 L C 363 273 604 29 15 L O 362 267 615 31 16 M N 362 267 592 30 16 M CA 360 252 592 29 16 M CB 359 247 578 29 16 M CG 352 234 577 36 16 M SD 353 227 560 44 16 M CE 340 215 562 48 16 M C 371 244 599 30 16 M O 368 235 608 30 17 L N 384 248 597 28 17 L CA 395 241 604 29 17 L CB 408 246 597 29 17 L CG 410 240 583 31 17 L CD1 422 248 575 28 17 L CD2 414 224 584 30 17 L C 394 244 619 27 17 L O 397 234 626 27 18 L N 392 256 623 27 18 L CA 391 259 637 27 18 L CB 388 274 639 28 18 L CG 400 283 639 30 18 L CD1 396 298 637 32 18 L CD2 409 280 652 28 18 L C 380 250 644 27 18 L O 382 245 655 28 19 A N 369 249 637 26 19 A CA 357 241 642 28 19 A CB 345 244 633 27 19 A C 360 226 643 28 19 A O 356 219 652 29 20 Q N 369 221 633 27 20 Q CA 373 207 633 27 20 Q CB 377 203 619 28 20 Q CG 366 203 609 31 20 Q CD 371 200 595 38 20 Q OE1 382 206 591 37 20 Q NE2 365 191 587 41 20 Q C 384 205 643 28 20 Q O 386 193 648 29 21 M N 391 216 647 27 21 M CA 401 214 658 28 21 M CB 410 226 658 29 21 M CG 420 225 646 29 21 M SD 428 242 643 35 21 M CE 434 244 656 26 21 M C 395 212 671 29 21 M O 402 206 680 29 22 R N 383 216 674 29 22 R CA 376 215 687 29 22 R CB 361 218 686 30 22 R CG 356 222 700 32 22 R CD 342 220 705 41 22 R NE 337 207 707 39 22 R CZ 326 203 713 32 22 R NH1 324 190 713 30 22 R NH2 317 211 720 31 22 R C 378 201 693 30 22 R O 375 191 686 30 23 R N 382 200 705 29 23 R CA 384 187 712 32 23 R CB 398 185 717 32 23 R CG 408 183 706 34 23 R CD 423 181 709 42 23 R NE 425 169 717 51 23 R CZ 435 166 725 56 23 R NH1 435 155 732 58 23 R NH2 446 174 725 53 23 R C 373 186 723 33 23 R O 367 175 725 35 24 I N 373 196 732 31 24 I CA 363 195 743 32 24 I CB 371 195 757 32 24 I CG1 379 208 759 31 24 I CD1 387 208 773 36 24 I CG2 379 182 758 34 24 I C 354 207 742 31 24 I O 357 217 735 30 25 S N 343 207 750 30 25 S CA 333 218 750 30 25 S CB 320 213 756 29 25 S OG 311 224 756 31 25 S C 338 230 758 29 25 S O 342 228 770 30 26 L N 335 242 754 28 26 L CA 338 254 762 29 26 L CB 333 266 753 29 26 L CG 334 279 760 32 26 L CD1 349 282 764 40 26 L CD2 331 290 749 36 26 L C 330 253 775 29 26 L O 334 258 785 30 27 F N 318 247 773 30 27 F CA 309 245 785 31 27 F CB 295 243 780 29 27 F CG 289 255 775 31 27 F CD1 283 264 784 30 27 F CE1 277 276 779 34 27 F CZ 278 279 765 33 27 F CE2 284 270 756 29 27 F CD2 290 258 762 29 27 F C 314 235 795 32 27 F O 308 234 806 35 28 S N 324 227 792 33 28 S CA 331 219 803 35 28 S CB 337 207 797 35 28 S OG 328 200 789 37 28 S C 342 227 809 36 28 S O 350 222 817 36 29 C N 344 240 804 35 29 C CA 355 248 809 34 29 C CB 364 251 797 34 29 C SG 370 235 789 39 29 C C 351 261 815 34 29 C O 360 270 814 33 30 L N 339 262 821 33 30 L CA 334 276 825 34 30 L CB 320 275 829 35 30 L CG 311 272 817 36 30 L CD1 296 272 821 40 30 L CD2 312 282 805 39 30 L C 343 282 835 33 30 L O 343 294 837 33 31 K N 349 273 843 33 31 K CA 358 279 854 34 31 K CB 364 268 863 37 31 K CG 375 260 856 39 31 K CD 382 250 866 49 31 K CE 394 243 860 48 31 K NZ 391 239 845 48 31 K C 370 287 847 33 31 K O 375 296 854 32 32 D N 373 285 835 31 32 D CA 384 292 828 33 32 D CB 392 282 821 33 32 D CG 399 272 830 38 32 D OD1 406 277 840 39 32 D OD2 397 259 829 41 32 D C 380 303 818 33 32 D O 388 308 810 32 33 R N 367 305 818 33 33 R CA 361 315 809 36 33 R CB 345 316 810 36 33 R CG 341 323 823 39 33 R CD 325 321 825 46 33 R NE 320 327 837 48 33 R CZ 322 322 850 54 33 R NH1 330 312 853 51 33 R NH2 316 329 860 55 33 R C 367 328 811 35 33 R O 371 332 822 35 34 H N 369 336 800 35 34 H CA 377 349 801 33 34 H CB 391 345 800 35 34 H CG 400 356 804 39 34 H ND1 405 366 795 43 34 H CE1 413 374 802 44 34 H NE2 413 371 814 49 34 H CD2 405 360 816 43 34 H C 372 358 789 33 34 H O 370 352 778 34 35 D N 372 371 791 30 35 D CA 368 380 781 31 35 D CB 357 390 785 31 35 D CG 352 398 774 34 35 D OD1 340 403 774 32 35 D OD2 360 401 764 33 35 D C 381 388 778 29 35 D O 386 394 787 28 36 F N 386 386 765 28 36 F CA 399 392 762 27 36 F CB 407 383 752 27 36 F CG 410 370 757 28 36 F CD1 400 359 755 26 36 F CE1 403 346 761 25 36 F CZ 415 344 768 25 36 F CE2 424 354 770 29 36 F CD2 421 367 765 26 36 F C 398 406 756 28 36 F O 408 412 752 26 37 G N 386 412 757 27 37 G CA 384 425 751 28 37 G C 389 427 737 28 37 G O 397 436 735 28 38 F N 385 419 727 26 38 F CA 388 419 713 27 38 F CB 381 409 705 27 38 F CG 384 409 691 27 38 F CD1 397 408 686 25 38 F CE1 399 408 672 27 38 F CZ 389 411 663 29 38 F CE2 376 412 668 32 38 F CD2 373 412 681 27 38 F C 383 433 708 28 38 F O 372 436 709 27 39 P N 393 441 702 27 39 P CA 389 455 697 27 39 P CB 402 462 695 27 39 P CG 412 450 692 29 39 P CD 407 439 701 26 39 P C 382 454 684 29 39 P O 387 458 673 28 40 Q N 369 449 684 30 40 Q CA 362 447 671 30 40 Q CB 349 439 674 33 40 Q CG 339 448 681 37 40 Q CD 326 440 685 44 40 Q OE1 326 432 693 44 40 Q NE2 315 443 678 49 40 Q C 359 460 664 30 40 Q O 357 460 652 31 41 E N 359 471 671 29 41 E CA 357 485 665 30 41 E CB 357 496 676 30 41 E CG 370 499 682 28 41 E CD 373 490 694 29 41 E OE1 365 480 696 34 41 E OE2 383 492 700 32 41 E C 368 487 654 31 41 E O 365 495 644 32 42 E N 379 482 656 31 42 E CA 390 484 645 33 42 E CB 403 478 648 34 42 E CG 411 481 660 39 42 E CD 408 494 667 42 42 E OE1 411 505 663 42 42 E OE2 402 493 678 45 42 E C 386 478 632 35 42 E O 393 482 622 35 43 F N 376 470 631 35 43 F CA 374 463 619 39 43 F CB 373 448 621 37 43 F CG 386 442 626 35 43 F CD1 389 442 639 29 43 F CE1 401 437 644 36 43 F CZ 411 432 635 33 43 F CE2 408 432 622 35 43 F CD2 396 438 617 35 43 F C 361 468 612 43 43 F O 358 463 601 46 44 G N 353 476 619 46 44 G CA 339 477 615 49 44 G C 337 489 606 52 44 G O 346 494 599 52 45 N N 324 494 605 55 45 N CA 320 505 596 57 45 N CB 305 505 594 59 45 N CG 302 493 584 62 45 N OD1 293 485 587 67 45 N ND2 309 492 573 62 45 N C 326 519 598 58 45 N O 324 527 589 58 46 Q N 332 522 609 57 46 Q CA 339 535 611 58 46 Q CB 345 536 625 58 46 Q CG 334 537 636 56 46 Q CD 340 539 650 51 46 Q OE1 332 541 659 46 46 Q NE2 353 537 652 49 46 Q C 350 536 601 60 46 Q O 356 547 600 60 47 F N 354 525 594 60 47 F CA 365 524 586 62 47 F CB 376 516 593 61 47 F CG 381 522 606 62 47 F CD1 377 516 618 59 47 F CE1 381 521 630 61 47 F CZ 389 533 631 63 47 F CE2 394 539 619 65 47 F CD2 389 533 606 63 47 F C 362 518 572 62 47 F O 354 509 571 62 48 A N 368 525 562 63 48 A CA 367 519 548 65 48 A CB 372 530 538 65 48 A C 376 506 547 65 48 A O 386 505 553 65 49 K N 370 497 539 66 49 K CA 377 484 536 65 49 K CB 371 478 523 66 49 K CG 358 469 525 69 49 K CD 349 469 513 73 49 K CE 348 455 506 75 49 K N2 344 455 492 77 49 K C 392 485 534 63 49 K O 399 477 541 64 50 A N 396 494 526 61 50 A CA 411 495 524 58 50 A CB 413 505 512 59 50 A C 418 500 536 56 50 A O 430 496 538 56 51 E N 412 507 545 52 51 E CA 419 511 557 50 51 E CB 415 525 563 51 51 E CG 400 526 566 56 51 E CD 395 541 568 62 51 E OE1 384 543 564 64 51 E OE2 403 550 572 61 51 E C 420 501 568 47 51 E O 427 502 577 46 52 T N 412 490 567 44 52 T CA 412 480 577 42 52 T CB 399 474 581 42 52 T OG1 393 469 569 47 52 T CG2 389 486 583 42 52 T C 422 468 574 40 52 T O 426 460 582 38 53 I N 427 469 561 37 53 I CA 437 459 556 36 53 I CB 442 462 542 37 53 I CG1 431 461 532 40 53 I CD1 421 449 533 48 53 I CG2 453 452 537 37 53 I C 448 457 566 34 53 I O 452 445 569 33 54 P N 455 467 570 35 54 P CA 466 465 580 34 54 P CB 471 479 583 33 54 P CG 466 487 572 35 54 P CD 454 481 566 33 54 P C 462 458 593 34 54 P O 471 451 599 32 55 V N 450 461 598 33 55 V CA 447 454 611 32 55 V CB 436 462 620 34 55 V CG1 442 475 624 41 55 V CG2 424 464 611 35 55 V C 443 440 609 30 55 V O 445 431 617 31 56 L N 436 437 597 30 56 L CA 432 424 594 31 56 L CB 424 423 581 32 56 L CG 420 409 577 38 56 L CD1 414 401 590 43 56 L CD2 410 409 566 40 56 L C 446 416 592 31 56 L O 447 404 596 30 57 H N 455 422 585 29 57 H CA 468 415 583 29 57 H CB 477 424 574 29 57 H CG 491 418 571 28 57 H ND1 501 421 579 28 57 H CE1 512 415 574 28 57 H NE2 509 408 563 29 57 H CD2 495 410 561 29 57 H C 475 412 597 29 57 H O 480 401 598 28 58 E N 475 422 606 28 58 E CA 481 419 619 29 58 E CB 481 432 628 28 58 E CG 487 430 642 27 58 E CD 503 429 641 31 58 E OE1 510 422 648 32 58 E OE2 508 436 632 29 58 E C 474 408 626 29 58 E O 480 399 632 27 59 M N 461 407 625 29 59 M CA 452 397 631 30 59 M CB 438 400 628 30 59 M CG 428 390 632 36 59 M SD 425 392 650 43 59 M CE 410 380 652 43 59 M C 456 383 626 29 59 M O 459 374 633 29 60 I N 457 381 613 30 60 I CA 461 369 607 31 60 I CB 458 369 592 32 60 I CG1 442 370 590 33 60 I CD1 437 370 577 37 60 I CG2 463 357 584 31 60 I C 475 364 610 32 60 I O 478 353 614 31 61 Q N 484 374 610 31 61 Q CA 498 370 614 31 61 Q CB 507 382 612 32 61 Q CG 521 380 619 33 61 Q CD 530 372 610 36 61 Q OE1 531 374 598 33 61 Q NE2 537 363 617 34 61 Q C 498 366 629 31 61 Q O 506 357 632 31 62 Q N 491 373 638 28 62 Q CA 491 369 652 26 62 Q CB 483 379 661 27 62 Q CG 491 392 662 28 62 Q CD 504 391 668 33 62 Q OE1 507 383 678 37 62 Q NE2 513 401 665 30 62 Q C 484 355 653 25 62 Q O 488 348 663 28 63 I N 474 351 646 27 63 I CA 467 338 647 27 63 I CB 455 337 638 27 63 I CG1 444 346 644 25 63 I CD1 432 349 635 27 63 I CG2 450 323 637 26 63 I C 478 327 643 28 63 I O 480 317 649 27 64 F N 485 330 632 30 64 F CA 497 322 628 30 64 F CB 503 326 615 33 64 F CG 514 317 610 29 64 F CD1 511 307 601 38 64 F CE1 522 298 598 41 64 F CZ 534 300 604 38 64 F CE2 537 310 613 41 64 F CD2 526 318 616 34 64 F C 507 321 640 30 64 F O 510 309 644 31 65 N N 511 332 647 30 65 N CA 521 331 657 30 65 N CB 525 344 663 32 65 N CG 531 354 653 36 65 N OD1 535 350 642 33 65 N ND2 532 367 658 35 65 N C 516 322 668 32 65 N O 524 315 675 29 66 L N 503 324 671 29 66 L CA 497 317 682 29 66 L CB 483 323 685 28 66 L CG 474 317 695 30 66 L CD1 480 317 709 28 66 L CD2 460 324 696 29 66 L C 496 302 680 28 66 L O 499 295 689 30 67 F N 492 298 668 28 67 F CA 490 284 665 28 67 F CB 477 282 656 28 67 F CG 464 284 664 29 67 F CD1 459 296 664 30 67 F CE1 446 299 671 30 67 F CZ 441 288 679 29 67 F CE2 447 275 678 32 67 F CD2 459 273 671 29 67 F C 502 276 660 31 67 F O 501 264 658 30 68 S N 513 283 658 31 68 S CA 525 276 652 32 68 S CB 531 286 641 32 68 S OG 536 298 647 34 68 S C 535 273 663 34 68 S O 546 268 660 34 69 T N 532 276 675 33 69 T CA 541 273 686 35 69 T CB 539 280 699 35 69 T OG1 526 275 705 33 69 T CG2 538 295 698 38 69 T C 541 257 689 36 69 T O 534 250 684 36 70 A N 551 254 697 38 70 A CA 553 240 702 37 70 A CB 566 239 710 38 70 A C 541 236 711 36 70 A O 536 225 712 35 71 D N 537 246 719 35 71 D CA 525 245 728 36 71 D CB 524 257 736 37 71 D CG 536 260 744 43 71 D OD1 539 252 754 45 71 D OD2 544 269 742 46 71 D C 513 241 720 36 71 D O 505 233 724 35 72 S N 511 248 708 35 72 S CA 499 246 700 34 72 S CB 498 257 689 33 72 S OG 488 254 680 32 72 S C 500 233 693 35 72 S O 490 225 692 31 73 S N 512 229 688 36 73 S CA 515 216 683 37 73 S CB 529 215 678 38 73 S OG 531 223 667 42 73 S C 511 204 692 37 73 S O 506 194 687 39 74 A N 513 206 705 37 74 A CA 509 196 715 36 74 A CB 516 200 728 37 74 A C 494 196 718 37 74 A O 489 187 724 35 75 A N 487 207 715 35 75 A CA 473 209 718 34 75 A CB 470 225 721 32 75 A C 463 204 707 33 75 A O 452 200 710 35 76 W N 467 205 695 33 76 W CA 458 203 684 32 76 W CB 456 216 676 30 76 W CG 452 228 685 29 76 W CD1 459 239 688 29 76 W NE1 453 247 698 31 76 W CE2 440 241 700 29 76 W CD2 440 229 693 29 76 W CE3 428 221 694 28 76 W CZ3 418 225 703 27 76 W CH2 419 237 710 26 76 W CZ2 430 245 709 27 76 W C 463 193 674 34 76 W O 475 191 673 36 77 D N 454 188 666 34 77 D CA 457 178 655 36 77 D CB 445 174 648 34 77 D CG 448 163 637 37 77 D OD1 448 166 625 37 77 D OD2 449 152 641 46 77 D C 467 184 645 37 77 D O 465 194 639 34 78 E N 478 176 643 38 78 E CA 489 180 634 39 78 E CB 500 169 634 41 78 E CG 511 172 624 47 78 E CD 521 160 624 57 78 E OE1 517 148 628 56 78 E OE2 533 162 621 58 78 E C 484 183 619 37 78 E O 488 193 613 39 79 T N 475 175 614 36 79 T CA 470 175 600 36 79 T CB 463 163 597 38 79 T OG1 472 151 595 42 79 T CG2 457 163 583 36 79 T C 461 188 598 34 79 T O 461 194 587 33 80 L N 453 190 608 34 80 L CA 445 202 608 33 80 L CB 434 202 619 32 80 L CG 424 191 617 32 80 L CD1 415 190 630 34 80 L CD2 416 192 604 31 80 L C 454 215 609 31 80 L O 451 224 602 31 81 L N 463 215 618 30 81 L CA 472 227 619 32 81 L CB 482 225 631 30 81 L CG 477 228 645 32 81 L CD1 488 224 655 32 81 L CD2 473 243 647 29 81 L C 479 230 607 33 81 L O 481 241 603 32 82 D N 484 219 600 35 82 D CA 491 221 587 37 82 D CB 500 209 584 41 82 D CG 513 209 594 47 82 D OD1 512 206 606 55 82 D OD2 524 213 589 56 82 D C 482 227 576 36 82 D O 486 236 569 35 83 K N 469 223 576 35 83 K CA 460 229 566 35 83 K CB 447 221 565 36 83 K CG 450 207 560 42 83 K CD 437 199 557 50 83 K CE 440 186 549 55 83 K NZ 429 177 549 60 83 K C 457 244 571 34 83 K O 455 252 562 35 84 F N 456 246 584 32 84 F CA 454 259 590 30 84 F CB 453 258 605 31 84 F CG 448 270 613 29 84 F CD1 435 275 609 34 84 F CE1 430 286 617 34 84 F CZ 437 291 628 31 84 F CE2 450 285 632 33 84 F CD2 454 274 624 29 84 F C 466 269 586 32 84 F O 463 280 581 31 85 Y N 478 265 587 32 85 Y CA 490 273 583 33 85 Y CB 503 266 585 33 85 Y CG 505 262 599 33 85 Y CD1 500 269 609 32 85 Y CE1 502 265 622 31 85 Y CZ 509 254 625 35 85 Y OH 511 249 638 34 85 Y CE2 514 246 615 36 85 Y CD2 512 250 602 32 85 Y C 489 277 568 34 85 Y O 490 289 565 34 86 T N 485 268 560 34 86 T CA 483 270 546 35 86 T CB 480 257 539 36 86 T OG1 491 248 539 39 86 T CG2 477 260 523 34 86 T C 473 281 543 36 86 T O 475 289 534 34 87 E N 461 280 549 32 87 E CA 451 290 547 33 87 E CB 438 287 555 33 87 E CG 431 274 550 34 87 E CD 428 275 535 44 87 E OE1 424 286 530 40 87 E OE2 430 265 528 46 87 E C 456 304 552 32 87 E O 453 314 545 32 88 L N 462 304 564 31 88 L CA 468 316 569 33 88 L CB 473 314 583 31 88 L CG 463 310 594 30 88 L CD1 470 307 607 27 88 L CD2 452 320 596 32 88 L C 478 323 560 34 88 L O 478 335 558 34 89 Y N 488 316 555 34 89 Y CA 498 321 545 36 89 Y CB 507 310 540 37 89 Y CG 517 304 550 41 89 Y CD1 525 312 557 44 89 Y CE1 534 306 566 46 89 Y CZ 536 292 567 47 89 Y OH 545 287 576 50 89 Y CE2 528 284 560 42 89 Y CD2 518 290 551 44 89 Y C 491 327 533 36 89 Y O 495 338 529 36 90 Q N 481 321 528 35 90 Q CA 474 325 516 37 90 Q CB 465 315 510 38 90 Q CG 458 319 497 45 90 Q CD 467 321 485 54 90 Q OE1 472 312 479 57 90 Q NE2 469 334 481 54 90 Q C 467 339 519 38 90 Q O 467 348 510 36 91 Q N 461 340 530 36 91 Q CA 454 352 534 34 91 Q CB 445 351 547 33 91 Q CG 433 343 543 33 91 Q CD 425 338 555 43 91 Q OE1 415 345 559 44 91 Q NE2 428 327 561 39 91 Q C 465 363 536 33 91 Q O 463 375 532 34 92 L N 476 360 543 32 92 L CA 486 370 545 34 92 L CB 498 364 553 34 92 L CG 495 363 568 36 92 L CD1 507 354 574 38 92 L CD2 494 377 575 35 92 L C 491 376 531 37 92 L O 493 388 529 35 93 N N 492 367 522 36 93 N CA 497 370 509 40 93 N CB 498 357 502 41 93 N CG 511 355 495 50 93 N OD1 512 357 483 57 93 N ND2 520 351 504 53 93 N C 488 379 501 39 93 N O 493 388 495 38 94 D N 475 375 501 38 94 D CA 464 383 495 41 94 D CB 451 376 497 42 94 D CG 448 364 489 50 94 D OD1 457 359 482 55 94 D OD2 437 358 489 59 94 D C 464 397 501 40 94 D O 462 407 493 40 95 L N 466 398 514 38 95 L CA 466 411 520 37 95 L CB 464 410 536 36 95 L CG 450 404 540 35 95 L CD1 450 399 554 31 95 L CD2 439 415 538 38 95 L C 478 420 517 38 95 L O 477 432 515 38 96 E N 490 413 516 38 96 E CA 502 420 513 40 96 E CB 514 411 517 39 96 E CG 517 410 532 42 96 E CD 527 399 535 43 96 E OE1 535 396 526 41 96 E OE2 527 395 547 40 96 E C 503 425 498 41 96 E O 510 435 495 41 97 A N 495 418 490 43 97 A CA 493 422 476 48 97 A CB 485 412 468 47 97 A C 487 436 474 51 97 A O 489 443 464 52 98 C N 480 441 484 55 98 C CA 474 454 485 59 98 C CB 464 455 496 58 98 C SG 450 443 494 60 98 C C 484 466 485 61 98 C O 481 477 481 62 99 V N 496 464 490 64 99 V CA 506 475 491 67 99 V CB 518 473 501 68 99 V CG1 514 463 512 67 99 V CG2 531 470 494 68 99 V C 510 480 477 70 99 V O 512 492 475 70 100 I N 512 471 467 72 100 I CA 516 474 453 75 100 I CB 521 462 445 75 100 I CG1 512 449 446 77 100 I CD1 502 447 434 78 100 I CG2 536 459 448 76 100 I C 504 481 446 76 100 I O 506 491 439 76 101 A N 492 476 448 77 101 A CA 479 481 443 78 101 A CB 467 473 447 77 101 A C 477 496 447 78 101 A O 474 504 439 78 102 G N 480 499 460 78 102 G CA 479 512 465 78 102 G C 492 520 465 79 102 G O 492 533 465 79 110 A N 472 571 553 72 110 A CA 464 573 566 72 110 A CB 449 573 562 72 110 A C 467 562 576 71 110 A O 459 552 578 72 111 A N 479 563 583 69 111 A CA 485 552 591 66 111 A CB 500 554 593 67 111 A C 479 549 605 63 111 A O 475 558 612 65 112 K N 478 536 607 59 112 K CA 470 530 618 53 112 K CB 462 518 612 56 112 K CG 455 520 598 58 112 K CD 441 527 600 65 112 K CE 433 523 612 68 112 K NZ 421 531 614 71 112 K C 478 523 629 49 112 K O 474 512 633 47 113 E N 489 529 633 44 113 E CA 498 522 642 40 113 E CB 510 531 644 40 113 E CG 516 535 631 46 113 E CD 519 524 622 53 113 E OE1 517 525 609 59 113 E OE2 524 513 627 53 113 E C 492 518 655 38 113 E O 495 507 661 34 114 D N 483 526 661 34 114 D CA 477 522 674 35 114 D CB 471 534 681 35 114 D CG 482 545 684 40 114 D OD1 480 556 679 45 114 D OD2 491 543 691 44 114 D C 467 512 672 32 114 D O 465 504 682 34 115 S N 460 511 661 32 115 S CA 451 500 659 33 115 S CB 443 502 647 33 115 S OG 433 513 649 39 115 S C 458 486 657 32 115 S O 453 476 662 30 116 I N 469 486 649 30 116 I CA 477 474 648 29 116 I CB 490 478 639 29 116 I CG1 485 477 625 31 116 I CD1 495 484 614 39 116 I CG2 501 467 642 29 116 I C 482 470 661 30 116 I O 481 458 665 32 117 L N 486 480 669 29 117 L CA 490 476 682 30 117 L CB 495 489 688 33 117 L CG 507 488 696 42 117 L CD1 519 485 686 44 117 L CD2 510 501 704 50 117 L C 479 471 691 30 117 L O 482 463 700 28 118 A N 467 476 690 29 118 A CA 456 471 698 29 118 A CB 444 478 695 27 118 A C 454 456 695 29 118 A O 452 448 704 29 119 V N 455 452 682 30 119 V CA 454 438 678 32 119 V CB 454 436 663 32 119 V CG1 454 421 659 31 119 V CG2 442 443 657 33 119 V C 466 430 685 32 119 V O 463 420 691 28 120 R N 478 435 684 33 120 R CA 489 428 692 32 120 R CB 503 435 691 34 120 R CG 507 436 678 34 120 R CD 523 438 677 36 120 R NE 524 440 663 33 120 R CZ 531 450 657 34 120 R NH1 538 458 664 32 120 R NH2 531 451 644 33 120 R C 487 427 706 34 120 R O 490 416 712 34 121 K N 482 437 713 31 121 K CA 479 436 727 31 121 K CB 476 449 734 30 121 K CG 488 459 736 35 121 K CD 482 473 739 37 121 K CE 493 484 737 41 121 K NZ 502 484 749 42 121 K C 469 426 731 29 121 K O 470 419 741 29 122 Y N 458 425 723 29 122 Y CA 448 414 724 28 122 Y CB 439 416 712 26 122 Y CG 429 404 710 25 122 Y CD1 430 396 699 23 122 Y CE1 422 385 696 26 122 Y CZ 411 382 705 25 122 Y OH 403 372 702 26 122 Y CE2 410 390 716 26 122 Y CD2 419 401 719 26 122 Y C 455 400 723 27 122 Y O 453 392 732 27 123 F N 463 398 714 28 123 F CA 471 385 713 28 123 F CB 477 383 700 27 123 F CG 467 378 689 29 123 F CD1 464 365 688 28 123 F CE1 454 361 678 26 123 F CZ 448 371 670 31 123 F CE2 451 384 672 29 123 F CD2 460 388 682 27 123 F C 480 382 726 31 123 F O 482 371 730 28 124 Q N 486 393 731 29 124 Q CA 494 393 743 31 124 Q CB 501 406 746 29 124 Q CG 513 409 737 34 124 Q CD 517 424 737 43 124 Q OE1 512 432 745 37 124 Q NE2 524 429 727 46 124 Q C 486 388 755 31 124 Q O 490 381 764 32 125 R N 473 393 755 30 125 R CA 465 389 767 28 125 R CB 452 397 767 30 125 R CG 454 413 770 31 125 R CD 442 420 774 32 125 R NE 433 422 762 27 125 R CZ 435 432 753 28 125 R NH1 445 441 755 29 125 R NH2 426 434 744 28 125 R C 462 374 765 29 125 R O 461 367 775 28 126 I N 459 370 753 26 126 I CA 456 356 750 28 126 I CB 453 353 736 29 126 I CG1 438 358 734 27 126 I CD1 434 358 718 26 126 I CG2 454 338 732 29 126 I C 468 347 755 30 126 I O 467 336 761 28 127 T N 480 351 749 30 127 T CA 493 344 752 34 127 T CB 504 352 744 33 127 T OG1 502 347 731 39 127 T CG2 517 348 748 42 127 T C 496 343 767 34 127 T O 500 333 772 35 128 L N 494 355 775 34 128 L CA 496 354 789 34 128 L CB 496 369 794 34 128 L CG 497 371 809 37 128 L CD1 511 365 814 38 128 L CD2 496 386 814 36 128 L C 486 346 796 35 128 L O 490 338 806 34 129 Y N 474 346 792 31 129 Y CA 464 337 798 32 129 Y CB 450 340 790 30 129 Y CG 439 329 792 30 129 Y CD1 430 331 802 28 129 Y CE1 420 322 804 29 129 Y CZ 419 311 795 26 129 Y OH 408 302 799 29 129 Y CE2 427 309 785 28 129 Y CD2 438 319 783 27 129 Y C 468 323 796 31 129 Y O 467 315 805 32 130 L N 472 319 784 32 130 L CA 476 305 782 34 130 L CB 480 302 768 31 130 L CG 468 300 759 32 130 L CD1 473 302 745 27 130 L CD2 461 286 761 28 130 L C 488 301 791 36 130 L O 488 289 797 36 131 K N 498 310 793 37 131 K CA 509 307 802 39 131 K CB 520 319 800 41 131 K CG 534 315 805 46 131 K CD 543 327 804 55 131 K CE 557 324 810 57 131 K NZ 567 334 805 62 131 K C 505 305 816 39 131 K O 508 296 823 40 132 E N 496 314 821 39 132 E CA 492 313 835 40 132 E CB 484 325 839 41 132 E CG 492 338 836 48 132 E CD 488 350 843 57 132 E OE1 475 353 842 58 132 E OE2 496 357 849 63 132 E C 484 301 838 40 132 E O 485 295 849 38 133 K N 476 296 828 38 133 K CA 468 284 830 38 133 K CB 456 285 820 38 133 K CG 447 296 823 35 133 K CD 438 293 834 39 133 K CE 426 303 834 39 133 K NZ 418 299 846 43 133 K C 476 271 826 38 133 K O 470 261 825 39 134 K N 489 273 823 37 134 K CA 498 262 819 37 134 K CB 502 253 831 39 134 K CG 508 261 843 43 134 K CD 510 253 855 52 134 K CE 510 262 868 57 134 K NZ 524 265 871 59 134 K C 493 254 808 37 134 K O 493 241 808 35 135 Y N 487 261 798 34 135 Y CA 483 254 785 34 135 Y CB 495 250 777 35 135 Y CG 504 262 774 38 135 Y CD1 515 265 783 44 135 Y CE1 523 276 780 46 135 Y CZ 521 283 769 44 135 Y OH 529 294 766 46 135 Y CE2 510 281 760 41 135 Y CD2 502 270 763 39 135 Y C 474 243 788 32 135 Y O 474 233 781 34 136 S N 465 244 797 33 136 S CA 456 233 800 34 136 S CB 448 236 813 34 136 S OG 439 246 811 37 136 S C 446 231 788 35 136 S O 445 240 779 34 137 P N 441 219 786 35 137 P CA 431 216 776 34 137 P CB 426 202 779 35 137 P CG 439 195 786 36 137 P CD 445 206 794 37 137 P C 419 226 777 33 137 P O 415 230 766 32 138 C N 415 230 788 31 138 C CA 404 240 790 32 138 C CB 398 241 803 32 138 C SG 386 227 807 39 138 C C 408 254 785 32 138 C O 400 261 779 30 139 A N 420 258 790 30 139 A CA 425 272 785 29 139 A CB 438 275 792 28 139 A C 426 272 770 28 139 A O 423 283 764 28 140 W N 431 261 764 26 140 W CA 432 261 750 27 140 W CB 440 248 745 27 140 W CG 455 251 742 29 140 W CD1 466 245 749 28 140 W NE1 478 250 743 32 140 W CE2 475 259 733 33 140 W CD2 461 260 732 30 140 W CE3 455 269 723 29 140 W CZ3 464 277 715 29 140 W CH2 478 275 716 29 140 W CZ2 484 267 725 33 140 W C 418 261 743 27 140 W O 417 266 732 24 141 E N 408 254 748 26 141 E CA 395 255 742 27 141 E CB 386 245 749 28 141 E CG 371 247 745 27 141 E CD 369 246 729 26 141 E OE1 378 241 721 29 141 E OE2 358 251 725 27 141 E C 389 269 743 27 141 E O 383 273 733 26 142 V N 391 275 754 25 142 V CA 386 289 756 27 142 V CB 390 295 770 28 142 V CG1 388 310 770 26 142 V CG2 381 288 781 28 142 V C 393 298 745 27 142 V O 386 306 738 25 143 V N 405 296 742 27 143 V CA 413 304 732 26 143 V CB 428 302 734 25 143 V CG1 436 307 721 24 143 V CG2 432 309 747 23 143 V C 408 300 718 25 143 V O 406 309 710 23 144 R N 407 287 715 24 144 R CA 402 283 702 25 144 R CB 402 268 700 24 144 R CG 398 263 687 26 144 R CD 391 249 688 25 144 R NE 379 250 695 29 144 R CZ 367 254 690 29 144 R NH1 366 257 677 29 144 R NH2 356 256 698 25 144 R C 388 290 699 25 144 R O 386 295 687 24 145 A N 379 288 708 26 145 A CA 365 293 707 25 145 A CB 356 290 719 25 145 A C 366 309 704 25 145 A O 359 314 696 25 146 E N 374 315 713 25 146 E CA 376 329 712 25 146 E CB 386 334 723 26 146 E CG 392 348 721 26 146 E CD 382 359 723 31 146 E OE1 383 370 716 28 146 E OE2 372 357 730 29 146 E C 381 334 698 27 146 E O 375 343 692 26 147 I N 391 327 692 26 147 I CA 396 331 679 25 147 I CB 410 323 676 27 147 I CG1 420 327 686 28 147 I CD1 425 342 685 32 147 I CG2 414 325 661 27 147 I C 386 329 669 27 147 I O 384 337 659 26 148 M N 379 317 670 25 148 M CA 368 315 660 27 148 M CB 362 301 663 28 148 M CG 357 294 651 35 148 M SD 349 279 656 35 148 M CE 337 279 642 35 148 M C 358 327 660 27 148 M O 354 331 649 27 149 R N 354 332 671 26 149 R CA 345 343 672 27 149 R CB 340 345 686 28 149 R CG 331 334 691 29 149 R CD 323 336 705 28 149 R NE 332 342 715 30 149 R CZ 339 335 724 30 149 R NH1 347 342 732 30 149 R NH2 340 322 724 30 149 R C 351 356 667 26 149 R O 346 362 658 25 150 S N 364 359 671 26 150 S CA 370 372 667 28 150 S CB 381 376 676 29 150 S OG 392 366 675 29 150 S C 374 372 653 29 150 S O 372 382 645 28 151 F N 379 360 648 27 151 F CA 382 359 634 29 151 F CB 390 346 630 29 151 F CG 393 344 615 32 151 F CD1 404 350 610 34 151 F CE1 407 349 596 37 151 F CZ 399 342 588 36 151 F CE2 387 335 594 36 151 F CD2 385 337 607 34 151 F C 370 361 625 30 151 F O 370 367 614 27 152 S N 358 354 628 32 152 S CA 346 357 620 34 152 S CB 334 348 623 36 152 S OG 334 346 636 42 152 S C 342 371 620 35 152 S O 337 376 610 36 153 L N 343 378 631 35 153 L CA 339 392 632 38 153 L CB 341 397 647 40 153 L CG 330 406 653 43 153 L CD1 317 407 646 47 153 L CD2 329 400 667 48 153 L C 348 401 624 39 153 L O 343 409 616 39 154 S N 361 398 625 37 154 S CA 372 406 618 39 154 S CB 385 403 624 36 154 S OG 390 391 619 41 154 S C 371 404 603 41 154 S O 375 413 595 42 155 T N 366 393 598 42 155 T CA 365 391 584 45 155 T CB 370 377 580 44 155 T OG1 363 367 587 41 155 T CG2 384 374 584 40 155 T C 351 393 578 48 155 T O 350 394 566 49 156 N N 341 393 586 51 156 N CA 327 395 581 55 156 N CB 317 384 587 57 156 N CG 321 369 584 62 156 N OD1 315 360 591 67 156 N ND2 330 367 575 68 156 N C 321 409 584 56 156 N O 326 419 580 57 6 A N 624 164 488 83 6 A CA 619 173 499 83 6 A CB 621 166 513 83 6 A C 626 187 499 83 6 A O 633 191 508 83 7 H N 623 194 488 82 7 H CA 624 208 488 81 7 H CB 630 213 474 81 7 H CG 645 215 475 79 7 H ND1 652 223 483 78 7 H CE1 665 222 481 77 7 H NE2 667 213 472 75 7 H CD2 655 208 467 77 7 H C 610 214 490 81 7 H O 609 225 493 81 8 A N 601 205 487 80 8 A CA 586 207 490 79 8 A CB 578 196 483 79 8 A C 583 208 505 77 8 A O 577 218 509 78 9 A N 587 198 513 75 9 A CA 584 198 527 73 9 A CB 580 184 532 74 9 A C 595 204 536 71 9 A O 592 207 548 71 10 G N 607 205 531 68 10 G CA 618 211 538 64 10 G C 616 226 540 61 10 G O 620 233 550 61 11 S N 611 232 529 58 11 S CA 608 246 529 56 11 S CB 605 250 514 56 11 S OG 595 243 509 58 11 S C 597 251 538 54 11 S O 596 262 541 53 12 R N 588 241 542 52 12 R CA 577 245 550 48 12 R CB 567 233 551 51 12 R CG 560 228 539 53 12 R CD 546 235 537 61 12 R NE 536 232 548 63 12 R CZ 525 240 549 64 12 R NH1 523 250 540 63 12 R NH2 516 237 558 55 12 R C 582 249 563 46 12 R O 577 259 568 44 13 R N 591 242 569 43 13 R CA 596 246 582 42 13 R CB 605 235 588 43 13 R CG 599 221 590 50 13 R CD 608 209 594 57 13 R NE 617 206 582 64 13 R CZ 621 194 580 69 13 R NH1 618 183 588 72 13 R NH2 629 191 569 69 13 R C 603 259 581 39 13 R O 603 267 591 37 14 T N 610 261 570 38 14 T CA 618 274 568 38 14 T CB 625 273 555 38 14 T OG1 635 263 555 41 14 T CG2 634 286 553 35 14 T C 609 286 568 36 14 T O 611 296 574 36 15 L N 598 285 559 37 15 L CA 587 295 559 39 15 L CB 577 291 549 41 15 L CG 582 291 535 43 15 L CD1 585 306 531 48 15 L CD2 572 285 525 45 15 L C 581 299 572 38 15 L O 579 310 576 37 16 M N 578 288 580 38 16 M CA 572 290 594 37 16 M CB 569 277 601 38 16 M CG 565 279 616 39 16 M SD 561 263 625 49 16 M CE 547 258 615 44 16 M C 582 298 602 36 16 M O 578 307 610 35 17 L N 595 294 601 35 17 L CA 604 302 609 34 17 L CB 617 295 610 34 17 L CG 617 282 618 38 17 L CD1 629 273 612 40 17 L CD2 620 286 632 37 17 L C 604 316 605 30 17 L O 605 325 613 31 18 L N 605 319 592 32 18 L CA 606 333 587 33 18 L CB 607 333 572 33 18 L CG 621 332 566 36 18 L CD1 619 328 551 37 18 L CD2 629 345 568 37 18 L C 593 340 591 34 18 L O 593 352 595 35 19 A N 582 333 590 35 19 A CA 569 339 596 36 19 A CB 557 330 592 38 19 A C 570 342 610 36 19 A O 566 354 613 37 20 Q N 575 334 618 35 20 Q CA 576 336 633 34 20 Q CB 580 324 641 36 20 Q CG 569 313 640 38 20 Q CD 573 299 646 42 20 Q OE1 585 296 645 45 20 Q NE2 564 292 651 39 20 Q C 586 347 636 34 20 Q O 586 353 647 32 21 M N 596 349 627 31 21 M CA 606 359 630 30 21 M CB 619 358 620 30 21 M CG 627 346 624 32 21 M SD 638 341 609 37 21 M CE 646 356 608 33 21 M C 602 374 629 30 21 M O 608 382 635 32 22 R N 590 376 622 33 22 R CA 585 389 620 34 22 R CB 571 387 613 36 22 R CG 564 401 609 38 22 R CD 552 404 617 38 22 R NE 541 411 611 37 22 R CZ 531 417 618 34 22 R NH1 531 415 631 31 22 R NH2 522 424 612 35 22 R C 583 397 633 36 22 R O 577 392 643 35 23 R N 587 410 634 35 23 R CA 586 417 647 36 23 R CB 599 421 653 37 23 R CG 609 409 655 41 23 R CD 623 414 657 46 23 R NE 623 423 669 54 23 R CZ 634 429 673 60 23 R NH1 633 436 684 64 23 R NH2 646 427 668 61 23 R C 577 429 644 38 23 R O 569 433 654 37 24 I N 576 435 632 35 24 I CA 568 447 630 35 24 I CB 575 460 630 33 24 I CG1 586 460 619 35 24 I CD1 594 475 617 34 24 I CG2 581 462 644 36 24 I C 561 445 617 34 24 I O 564 436 609 34 25 S N 551 453 614 33 25 S CA 542 451 603 35 25 S CB 528 457 605 33 25 S OG 521 457 594 33 25 S C 548 458 590 35 25 S O 553 469 591 36 26 L N 548 451 579 35 26 L CA 551 458 566 37 26 L CB 546 449 555 37 26 L CG 555 438 551 44 26 L CD1 547 427 543 44 26 L CD2 566 445 542 47 26 L C 542 470 564 38 26 L O 546 479 556 36 27 F N 530 470 570 36 27 F CA 521 482 568 37 27 F CB 506 479 570 34 27 F CG 501 469 560 34 27 F CD1 495 474 548 38 27 F CE1 490 466 539 38 27 F CZ 490 452 541 34 27 F CE2 496 447 553 31 27 F CD2 501 456 562 30 27 F C 525 494 577 36 27 F O 521 505 575 39 28 S N 534 492 586 36 28 S CA 541 503 594 37 28 S CB 544 499 608 36 28 S OG 533 492 614 39 28 S C 553 508 587 37 28 S O 560 517 592 38 29 C N 556 503 575 37 29 C CA 569 505 568 37 29 C CB 577 491 569 37 29 C SG 583 488 587 41 29 C C 567 508 553 36 29 C O 576 505 545 36 30 L N 556 514 550 37 30 L CA 552 516 536 39 30 L CB 538 521 535 40 30 L CG 526 511 539 44 30 L CD1 514 520 540 49 30 L CD2 525 500 529 46 30 L C 561 525 529 39 30 L O 564 523 517 39 31 K N 567 535 535 41 31 K CA 577 544 529 42 31 K CB 581 555 539 43 31 K CG 590 550 550 48 31 K CD 591 559 562 52 31 K CE 603 555 572 55 31 K NZ 601 542 579 55 31 K C 590 536 525 42 31 K O 597 541 517 41 32 D N 592 524 531 40 32 D CA 604 516 527 40 32 D CB 611 510 539 41 32 D CG 614 520 550 44 32 D OD1 623 528 547 45 32 D OD2 608 522 561 46 32 D C 601 505 517 39 32 D O 610 497 514 38 33 A N 589 505 512 38 33 A CA 585 495 501 38 33 A CB 571 499 495 40 33 A C 595 496 490 39 33 A O 599 506 486 39 34 H N 598 484 484 37 34 H CA 608 484 473 39 34 H CB 622 484 480 39 34 H CG 634 486 471 41 34 H ND1 641 498 469 46 34 H CE1 650 496 460 46 34 H NE2 649 484 455 43 34 H CD2 639 477 462 40 34 H C 606 471 465 40 34 H O 603 461 471 41 35 D N 605 472 452 39 35 D CA 604 461 443 38 35 D CB 595 462 431 41 35 D CG 590 449 426 44 35 D OD1 578 449 421 51 35 D OD2 597 438 424 43 35 D C 618 457 439 38 35 D O 625 465 432 35 36 F N 622 445 443 36 36 F CA 636 440 441 34 36 F CB 640 431 453 32 36 F CG 642 438 466 32 36 F CD1 632 438 475 28 36 F CE1 633 445 487 31 36 F CZ 644 452 490 32 36 F CE2 655 453 480 30 36 F CD2 653 446 468 29 36 F C 637 433 428 33 36 F O 648 429 425 32 37 G N 626 430 422 33 37 G CA 626 423 409 35 37 G C 631 408 410 36 37 G O 639 404 402 33 38 F N 625 400 419 36 38 F CA 630 387 420 37 38 F CB 621 380 430 36 38 F CG 624 365 432 38 38 F CD1 636 361 436 39 38 F CE1 639 347 437 44 38 F CZ 630 338 435 41 38 F CE2 617 342 431 42 38 F CD2 614 355 429 38 38 F C 628 379 406 38 38 F O 617 379 401 39 39 P N 638 372 401 38 39 P CA 636 365 388 39 39 P CB 651 363 383 38 39 P CG 659 363 396 39 39 P CD 652 372 406 36 39 P C 629 351 390 39 39 P O 634 340 387 41 40 Q N 616 352 393 41 40 Q CA 608 340 396 43 40 Q CB 594 344 401 44 40 Q CG 585 351 391 49 40 Q CD 571 353 396 54 40 Q OE1 568 361 405 57 40 Q NE2 562 345 391 59 40 Q C 607 331 384 45 40 Q O 605 319 385 45 41 E N 609 336 372 46 41 E CA 609 328 359 47 41 E CB 608 337 347 45 41 E CG 622 344 344 43 41 E CD 625 357 352 38 41 E OE1 616 361 360 38 41 E OE2 635 363 350 39 41 E C 620 318 358 50 41 E O 619 308 350 50 42 E N 631 320 365 52 42 E CA 642 310 365 55 42 E CB 655 315 373 55 42 E CG 660 329 369 59 42 E CD 661 332 354 62 42 E OE1 650 336 349 68 42 E OE2 671 330 348 62 42 E C 638 297 372 57 42 E O 644 287 371 58 43 F N 627 298 380 60 43 F CA 623 286 388 63 43 F CB 620 290 403 62 43 F CG 632 296 409 60 43 F CD1 635 310 408 58 43 F CE1 646 316 415 56 43 F CZ 655 308 422 57 43 F CE2 652 294 423 57 43 F CD2 641 288 416 58 43 F C 610 280 382 67 43 F O 604 271 388 69 44 G N 605 285 371 71 44 G CA 592 281 366 75 44 G C 592 269 357 78 44 G O 602 262 355 78 45 N N 579 266 352 82 45 N CA 576 254 344 85 45 N CB 561 253 342 85 45 N CG 555 266 337 88 45 N OD1 554 269 325 90 45 N ND2 551 275 347 88 45 N C 583 253 331 86 45 N O 585 242 325 87 46 Q N 587 264 325 88 46 Q CA 594 264 312 89 46 Q CB 594 278 305 89 46 Q CG 602 290 312 90 46 Q CD 602 303 304 92 46 Q OE1 592 309 303 91 46 Q NE2 614 307 300 92 46 Q C 608 258 312 89 46 Q O 615 257 302 90 47 F N 612 253 324 90 47 F CA 625 246 326 90 47 F CB 635 254 334 91 47 F CG 639 267 327 92 47 F CD1 646 267 315 93 47 F CE1 650 279 309 94 47 F CZ 647 291 315 94 47 F CE2 640 292 327 93 47 F CD2 636 279 333 92 47 F C 623 233 333 90 47 F O 614 231 341 90 48 A N 631 223 329 90 48 A CA 631 210 336 89 48 A CB 638 199 327 89 48 A C 637 211 350 89 48 A O 646 219 352 88 49 A N 631 203 359 88 49 A CA 636 203 373 87 49 A CB 629 192 381 87 49 A C 651 202 375 86 49 A O 657 209 383 86 50 A N 658 195 366 84 50 A CA 672 194 366 82 50 A CB 677 182 357 83 50 A C 679 207 361 81 50 A O 691 208 362 81 51 A N 671 216 356 78 51 A CA 677 229 352 76 51 A CB 669 235 339 76 51 A C 676 238 364 74 51 A O 685 247 365 74 52 T N 666 237 372 71 52 T CA 663 247 382 68 52 T CB 647 248 385 68 52 T OG1 642 236 390 70 52 T CG2 640 251 372 68 52 T C 670 244 396 66 52 T O 670 252 405 65 53 I N 676 232 397 63 53 I CA 682 228 410 61 53 I CB 684 213 410 61 53 I CG1 670 206 414 62 53 I CD1 669 192 408 65 53 I CG2 695 209 420 60 53 I C 694 236 413 58 53 I O 695 242 424 58 54 P N 704 238 404 56 54 P CA 715 247 406 54 54 P CB 722 247 392 55 54 P CG 718 234 386 55 54 P CD 704 232 390 55 54 P C 710 261 409 53 54 P O 717 268 418 52 55 V N 699 266 404 50 55 V CA 694 279 407 48 55 V CB 683 284 396 49 55 V CG1 683 300 397 48 55 V CG2 687 280 382 48 55 V C 688 279 421 47 55 V O 691 288 428 45 56 L N 680 269 424 46 56 L CA 675 268 437 46 56 L CB 665 256 437 46 56 L CG 659 252 451 48 56 L CD1 651 264 458 51 56 L CD2 650 240 449 52 56 L C 686 267 448 45 56 L O 685 273 459 45 57 H N 696 260 445 46 57 H CA 708 259 455 45 57 H CB 717 247 452 46 57 H CG 710 234 454 48 57 H ND1 716 221 451 48 57 H CE1 707 212 454 52 57 H NE2 696 217 459 50 57 H CD2 698 231 459 48 57 H C 715 272 457 43 57 H O 719 275 468 42 58 E N 716 280 446 42 58 E CA 721 293 448 41 58 E CB 723 300 434 42 58 E CG 730 314 435 41 58 E CD 744 313 439 45 58 E OE1 749 323 445 41 58 E OE2 751 303 437 48 58 E C 712 302 457 40 58 E O 717 310 465 40 59 M N 699 301 455 40 59 M CA 690 308 464 41 59 M CB 676 303 460 41 59 M CG 664 310 467 47 59 M SD 661 326 460 54 59 M CE 647 331 471 48 59 M C 692 304 479 39 59 M O 694 313 487 38 60 I N 693 291 482 39 60 I CA 696 287 496 38 60 I CB 695 271 497 39 60 I CG1 682 266 491 42 60 I CD1 670 269 500 47 60 I CG2 699 267 512 39 60 I C 709 293 501 37 60 I O 710 298 512 37 61 Q N 720 291 493 37 61 Q CA 732 297 497 37 61 Q CB 743 296 486 38 61 Q CG 756 303 490 38 61 Q CD 763 295 500 47 61 Q OE1 767 300 511 45 61 Q NE2 765 283 497 46 61 Q C 732 312 500 36 61 Q O 738 317 509 35 62 Q N 725 320 491 35 62 Q CA 724 335 493 32 62 Q CB 717 341 481 33 62 Q CG 726 340 468 32 62 Q CD 738 348 469 34 62 Q OE1 739 359 475 37 62 Q NE2 750 342 464 35 62 Q C 716 338 505 31 62 Q O 718 347 512 32 63 I N 705 330 508 31 63 I CA 697 332 520 33 63 I CB 685 324 520 34 63 I CG1 674 328 510 36 63 I CD1 664 318 506 36 63 I CG2 678 324 534 32 63 I C 706 330 532 33 63 I O 707 337 542 32 64 F N 714 319 531 34 64 F CA 724 316 542 34 64 F CB 733 303 540 35 64 F CG 745 302 550 37 64 F CD1 743 295 561 45 64 F CE1 754 295 571 41 64 F CZ 765 302 569 40 64 F CE2 767 310 557 42 64 F CD2 756 310 548 38 64 F C 732 328 544 34 64 F O 733 333 556 35 65 N N 738 333 534 34 65 N CA 747 345 534 34 65 N CB 753 349 520 34 65 N CG 761 338 513 41 65 N OD1 763 338 500 43 65 N ND2 766 328 520 30 65 N C 740 357 540 34 65 N O 745 363 549 35 66 L N 728 361 535 33 66 L CA 721 373 540 32 66 L CB 708 374 533 32 66 L CG 698 385 537 32 66 L CD1 704 398 535 34 66 L CD2 685 383 527 33 66 L C 718 372 555 30 66 L O 719 382 562 32 67 F N 713 361 560 32 67 F CA 709 360 575 33 67 F CB 697 351 576 34 67 F CG 684 357 571 35 67 F CD1 680 355 558 34 67 F CE1 668 361 553 36 67 F CZ 661 369 561 35 67 F CE2 665 371 574 38 67 F CD2 677 365 579 35 67 F C 720 357 584 38 67 F O 717 355 596 37 68 S N 733 357 580 42 68 S CA 744 351 588 44 68 S CB 751 340 581 45 68 S OG 759 344 569 49 68 S C 753 362 593 45 68 S O 762 360 601 48 69 T N 750 374 589 45 69 T CA 758 386 593 44 69 T CB 755 398 584 44 69 T OG1 741 402 586 41 69 T CG2 755 394 569 41 69 T C 755 390 607 46 69 T O 745 386 613 44 70 K N 764 399 612 47 70 K CA 762 406 625 49 70 K CB 774 415 627 50 70 K CG 785 409 635 55 70 K CD 797 419 639 62 70 K CE 810 412 641 66 70 K NZ 809 402 653 67 70 K C 749 413 625 48 70 K O 742 415 635 48 71 D N 746 419 613 46 71 D CA 734 427 611 44 71 D CB 735 435 598 45 71 D CG 746 444 598 48 71 D OD1 745 455 604 52 71 D OD2 757 442 592 53 71 D C 722 419 613 43 71 D O 713 423 620 43 72 S N 722 407 607 40 72 S CA 711 398 609 39 72 S CB 712 386 600 39 72 S OG 702 377 602 37 72 S C 709 394 623 41 72 S O 698 394 629 40 73 S N 721 391 630 42 73 S CA 720 388 644 45 73 S CB 734 382 650 46 73 S OG 736 369 643 47 73 S C 715 399 653 45 73 S O 708 396 663 47 74 A N 717 411 650 46 74 A CA 711 422 657 45 74 A CB 719 436 655 46 74 A C 697 425 654 46 74 A O 690 431 662 48 75 A N 692 419 643 44 75 A CA 678 422 638 41 75 A CB 678 422 623 40 75 A C 668 412 643 40 75 A O 656 415 644 39 76 W N 672 399 645 39 76 W CA 663 388 646 38 76 W CB 664 379 634 37 76 W CG 661 386 621 37 76 W CD1 670 388 611 35 76 W NE1 664 395 600 36 76 W CE2 651 398 604 36 76 W CD2 649 393 617 36 76 W CE3 636 395 622 34 76 W CZ3 626 401 615 35 76 W CH2 629 406 602 36 76 W CZ2 642 405 596 34 76 W C 665 380 659 38 76 W O 676 381 665 37 77 D N 655 373 664 38 77 D CA 656 365 676 39 77 D CB 642 359 679 38 77 D CG 642 350 691 44 77 D OD1 639 338 691 46 77 D OD2 646 355 703 50 77 D C 666 354 674 39 77 D O 664 346 664 36 78 E N 675 352 683 40 78 E CA 686 342 682 42 78 E CB 697 343 692 43 78 E CG 707 331 691 49 78 E CD 719 333 681 58 78 E OE1 728 324 680 57 78 E OE2 719 344 674 62 78 E C 680 327 681 42 78 E O 684 320 673 43 79 T N 671 324 690 41 79 T CA 664 311 690 41 79 T CB 653 311 701 42 79 T OG1 659 313 714 44 79 T CG2 646 297 702 43 79 T C 658 308 676 40 79 T O 660 296 671 39 80 L N 651 317 670 38 80 L CA 645 314 658 35 80 L CB 634 325 654 37 80 L CG 622 325 664 40 80 L CD1 613 337 660 45 80 L CD2 614 311 662 42 80 L C 655 314 646 34 80 L O 655 306 638 32 81 L N 665 323 647 35 81 L CA 676 322 636 36 81 L CB 686 332 639 37 81 L CG 685 346 632 40 81 L CD1 697 353 637 42 81 L CD2 684 343 617 34 81 L C 683 309 636 37 81 L O 686 303 625 37 82 D N 686 304 648 38 82 D CA 694 291 649 37 82 D CB 697 287 663 37 82 D CG 708 296 669 40 82 D OD1 712 296 681 35 82 D OD2 714 304 661 42 82 D C 686 280 642 37 82 D O 691 271 635 38 83 K N 673 279 645 37 83 K CA 664 269 639 37 83 K CB 651 270 646 38 83 K CG 652 264 660 44 83 K CD 638 261 667 54 83 K CE 639 258 682 58 83 K NZ 626 259 688 62 83 K C 663 271 623 37 83 K O 663 261 615 36 84 F N 662 283 619 35 84 F CA 662 287 605 35 84 F CB 662 302 604 35 84 F CG 661 308 590 35 84 F CD1 651 305 581 33 84 F CE1 650 311 568 34 84 F CZ 660 320 564 33 84 F CE2 671 323 573 34 84 F CD2 671 317 586 37 84 F C 675 282 598 35 84 F O 676 274 589 33 85 Y N 687 285 605 36 85 Y CA 699 279 599 38 85 Y CB 711 284 607 38 85 Y CG 715 296 601 43 85 Y CD1 722 296 588 47 85 Y CE1 725 308 581 51 85 Y CZ 720 319 587 51 85 Y OH 723 331 579 57 85 Y CE2 713 320 599 46 85 Y CD2 710 308 605 43 85 Y C 699 264 598 38 85 Y O 703 258 588 39 86 T N 694 257 608 39 86 T CA 692 243 608 41 86 T CB 686 238 621 40 86 T OG1 696 240 632 44 86 T CG2 685 223 622 46 86 T C 685 238 596 42 86 T O 689 228 589 42 87 E N 674 245 593 40 87 E CA 667 241 580 39 87 E CB 654 249 579 40 87 E CG 644 246 591 42 87 E CD 642 231 592 47 87 E OE1 638 225 582 45 87 E OE2 643 226 603 49 87 E C 676 244 567 38 87 E O 676 236 558 38 88 L N 683 255 567 36 88 L CA 690 258 555 38 88 L CB 697 272 555 37 88 L CG 687 284 557 38 88 L CD1 695 296 559 33 88 L CD2 677 284 545 40 88 L C 701 248 552 37 88 L O 704 245 540 38 89 Y N 708 243 562 40 89 Y CA 719 232 560 40 89 Y CB 725 228 574 39 89 Y CG 732 239 581 36 89 Y CD1 739 249 574 38 89 Y CE1 744 260 581 39 89 Y CZ 743 261 594 37 89 Y OH 748 272 601 36 89 Y CE2 735 252 601 34 89 Y CD2 730 241 595 35 89 Y C 714 220 553 41 89 Y O 721 215 544 41 90 Q N 701 216 555 42 90 Q CA 695 204 549 44 90 Q CB 683 199 556 45 90 Q CG 684 199 571 49 90 Q CD 671 192 577 58 90 Q OE1 666 197 588 62 90 Q NE2 666 182 571 59 90 Q C 692 206 534 45 90 Q O 690 196 526 45 91 Q N 691 219 530 44 91 Q CA 686 222 517 45 91 Q CB 676 233 517 44 91 Q CG 663 229 525 47 91 Q CD 654 241 528 48 91 Q OE1 646 245 520 49 91 Q NE2 654 246 541 48 91 Q C 698 226 508 45 91 Q O 696 227 495 46 92 L N 710 228 513 45 92 L CA 721 234 505 44 92 L CB 733 237 514 45 92 L CG 733 250 522 46 92 L CD1 745 250 532 47 92 L CD2 735 263 512 48 92 L C 726 225 494 46 92 L O 731 229 484 45 93 N N 726 212 498 47 93 N CA 734 202 489 49 93 N CB 749 203 493 47 93 N CG 757 194 484 48 93 N OD1 753 190 473 44 93 N ND2 769 190 490 47 93 N C 728 188 492 51 93 N O 734 180 499 51 94 D N 716 186 487 53 94 D CA 708 174 491 56 94 D CB 694 177 495 56 94 D CG 686 184 484 58 94 D OD1 674 181 482 61 94 D OD2 692 193 478 60 94 D C 708 163 480 57 94 D O 701 153 482 57 95 L N 716 165 469 59 95 L CA 720 154 460 61 95 L CB 730 145 466 61 95 L CG 742 152 472 62 95 L CD1 750 143 482 60 95 L CD2 752 158 462 60 95 L C 708 146 453 63 95 L O 708 134 453 63 96 E N 699 154 448 64 96 E CA 687 149 441 65 96 E CB 683 158 430 65 96 E CG 674 169 434 66 96 E CD 680 179 445 67 96 E OE1 672 186 451 67 96 E OE2 692 179 447 66 96 E C 686 134 437 66 96 E O 688 130 425 66 112 A N 740 266 337 59 112 A CA 730 277 337 59 112 A CB 716 272 342 59 112 A C 736 289 345 57 112 A O 729 294 354 57 113 E N 747 294 340 56 113 E CA 754 305 346 55 113 E CB 767 307 337 56 113 E CG 777 317 342 62 113 E CD 789 318 332 72 113 E OE1 795 329 331 73 113 E OE2 793 308 326 74 113 E C 746 318 346 53 113 E O 748 326 356 52 114 D N 738 322 336 50 114 D CA 732 335 336 49 114 D CB 726 338 322 50 114 D CG 736 340 311 56 114 D OD1 734 336 300 61 114 D OD2 746 347 313 61 114 D C 721 336 346 46 114 D O 719 346 352 45 115 S N 714 324 348 44 115 S CA 704 323 358 44 115 S CB 697 309 356 45 115 S OG 688 309 345 49 115 S C 709 324 372 44 115 S O 703 330 380 43 116 I N 721 317 375 43 116 I CA 726 318 388 42 116 I CB 739 309 389 43 116 I CG1 734 294 391 45 116 I CD1 744 284 386 50 116 I CG2 748 313 401 44 116 I C 731 333 391 42 116 I O 729 338 401 40 117 L N 736 339 380 41 117 L CA 740 353 382 41 117 L CB 747 357 369 41 117 L CG 753 371 371 46 117 L CD1 765 371 381 51 117 L CD2 757 378 358 50 117 L C 728 363 385 38 117 L O 730 373 392 39 118 A N 717 360 379 36 118 A CA 704 367 381 36 118 A CB 693 360 372 35 118 A C 700 366 395 35 118 A O 696 376 401 32 119 V N 701 354 401 35 119 V CA 698 352 415 35 119 V CB 698 337 419 35 119 V CG1 698 335 434 34 119 V CG2 687 331 412 34 119 V C 708 360 424 36 119 V O 704 367 433 35 120 R N 721 359 420 35 120 R CA 731 366 428 35 120 R CB 745 364 424 35 120 R CG 751 350 427 40 120 R CD 765 348 423 40 120 R NE 768 333 425 41 120 R CZ 778 326 419 46 120 R NH1 787 333 412 50 120 R NH2 779 313 422 48 120 R C 728 381 428 34 120 R O 730 388 437 32 121 K N 723 386 416 33 121 K CA 722 401 415 32 121 K CB 720 405 400 31 121 K CG 733 406 391 36 121 K CD 731 409 376 45 121 K CE 745 411 369 49 121 K NZ 746 415 354 54 121 K C 710 405 423 30 121 K O 709 416 428 31 122 Y N 700 397 423 30 122 Y CA 688 400 432 31 122 Y CB 678 388 430 28 122 Y CG 667 387 441 32 122 Y CD1 668 376 450 32 122 Y CE1 658 375 460 29 122 Y CZ 647 383 460 32 122 Y OH 637 381 468 33 122 Y CE2 646 394 450 33 122 Y CD2 656 396 441 30 122 Y C 692 401 446 30 122 Y O 689 411 453 30 123 F N 701 392 452 30 123 F CA 706 394 465 31 123 F CB 712 380 470 31 123 F CG 702 370 474 31 123 F CD1 696 370 487 30 123 F CE1 686 361 491 27 123 F CZ 682 352 481 28 123 F CE2 687 352 468 32 123 F CD2 697 361 465 29 123 F C 715 406 468 29 123 F O 714 413 478 29 124 Q N 722 410 457 31 124 Q CA 731 422 458 30 124 Q CB 740 424 446 32 124 Q CG 750 413 444 36 124 Q CD 756 413 429 43 124 Q OE1 753 421 421 43 124 Q NE2 765 403 427 46 124 Q C 722 434 460 28 124 Q O 725 443 467 30 125 R N 710 434 452 28 125 R CA 701 445 454 29 125 R CB 690 445 443 28 125 R CG 694 445 429 32 125 R CD 683 447 418 27 125 R NE 675 436 416 29 125 R CZ 677 426 408 28 125 R NH1 688 425 401 30 125 R NH2 668 416 407 27 125 R C 695 445 468 28 125 R O 693 456 474 28 126 I N 692 434 473 29 126 I CA 687 433 487 30 126 I CB 682 419 491 29 126 I CG1 668 416 485 32 126 I CD1 665 402 484 31 126 I CG2 681 417 506 31 126 I C 697 439 497 29 126 I O 695 447 506 27 127 T N 710 433 496 30 127 T CA 721 438 504 33 127 T CB 733 430 500 33 127 T OG1 732 417 505 40 127 T CG2 746 435 508 39 127 T C 723 453 504 32 127 T O 726 459 514 32 128 L N 723 458 492 33 128 L CA 725 473 491 34 128 L CB 727 476 476 36 128 L CG 730 490 472 41 128 L CD1 743 496 478 41 128 L CD2 730 491 457 46 128 L C 714 481 497 33 128 L O 716 491 503 35 129 Y N 702 476 495 33 129 Y CA 690 483 501 31 129 Y CB 678 475 497 31 129 Y CG 665 478 505 31 129 Y CD1 656 488 501 32 129 Y CE1 644 490 508 34 129 Y CZ 641 483 520 34 129 Y OH 629 486 526 35 129 Y CE2 650 473 524 31 129 Y CD2 662 470 517 30 129 Y C 692 483 516 30 129 Y O 690 494 523 32 130 L N 696 472 522 31 130 L CA 698 472 537 33 130 L CB 700 458 542 32 130 L CG 689 447 542 31 130 L CD1 694 432 542 29 130 L CD2 679 450 554 31 130 L C 709 481 541 35 130 L O 707 489 551 34 131 K N 720 481 534 37 131 K CA 731 490 537 39 131 K CB 742 488 527 39 131 K CG 754 496 531 43 131 K CD 766 495 520 50 131 K CE 777 505 524 54 131 K NZ 790 499 518 59 131 K C 726 505 536 38 131 K O 728 513 545 39 132 E N 719 509 525 40 132 E CA 714 522 523 40 132 E CB 707 524 509 41 132 E CG 717 523 497 49 132 E CD 711 524 484 59 132 E OE1 699 520 481 62 132 E OE2 718 530 475 62 132 E C 704 527 533 41 132 E O 703 539 537 40 133 K N 696 517 538 38 133 K CA 687 520 548 38 133 K CB 675 510 547 37 133 K CG 666 511 535 38 133 K CD 657 523 535 42 133 K CE 648 524 523 43 133 K NZ 640 536 525 47 133 K C 693 518 562 39 133 K O 685 520 572 40 134 K N 706 516 563 39 134 K CA 713 515 576 40 134 K CB 713 528 584 42 134 K CG 717 541 575 46 134 K CD 717 553 583 57 134 K CE 728 563 578 63 134 K NZ 722 577 578 69 134 K C 706 504 586 40 134 K O 706 505 598 40 135 Y N 701 493 579 38 135 Y CA 696 481 586 38 135 Y CB 707 474 593 37 135 Y CG 718 470 583 39 135 Y CD1 729 478 582 43 135 Y CE1 739 475 572 45 135 Y CZ 738 463 565 43 135 Y OH 748 460 557 44 135 Y CE2 727 455 567 41 135 Y CD2 717 458 576 37 135 Y C 685 485 595 37 135 Y O 684 480 607 36 136 S N 676 495 592 35 136 S CA 666 499 601 36 136 S CB 657 510 594 35 136 S OG 651 506 583 36 136 S C 656 487 603 36 136 S O 655 478 594 33 137 P N 649 487 614 37 137 P CA 638 477 616 36 137 P CB 630 482 629 37 137 P CG 641 489 637 39 137 P CD 650 496 626 37 137 P C 629 476 604 34 137 P O 625 465 600 33 138 C N 625 487 598 34 138 C CA 615 487 587 33 138 C CB 610 501 583 35 138 C SG 595 504 593 40 138 C C 622 480 575 32 138 C O 616 473 567 32 139 A N 635 483 573 31 139 A CA 641 477 561 31 139 A CB 655 484 558 30 139 A C 643 462 562 29 139 A O 640 454 553 30 140 W N 645 458 574 29 140 W CA 646 443 578 29 140 W CB 652 441 591 28 140 W CG 667 439 591 33 140 W CD1 677 446 598 29 140 W NE1 689 441 595 32 140 W CE2 688 429 587 35 140 W CD2 674 428 584 32 140 W CE3 670 418 576 34 140 W CZ3 679 409 571 35 140 W CH2 693 411 575 34 140 W CZ2 697 421 582 31 140 W C 633 436 576 28 140 W O 633 425 571 28 141 E N 622 443 580 27 141 E CA 609 437 577 28 141 E CB 598 445 585 27 141 E CG 583 441 581 26 141 E CD 581 426 584 27 141 E OE1 588 420 591 30 141 E OE2 571 420 578 33 141 E C 605 436 563 28 141 E O 601 425 558 28 142 V N 608 446 555 29 142 V CA 606 446 540 28 142 V CB 610 459 534 31 142 V CG1 612 457 518 28 142 V CG2 601 470 538 31 142 V C 614 434 535 26 142 V O 609 427 527 28 143 V N 626 432 539 28 143 V CA 634 422 533 28 143 V CB 649 424 537 29 143 V CG1 658 411 536 28 143 V CG2 655 436 528 27 143 V C 629 408 537 29 143 V O 629 398 530 28 144 R N 625 407 550 30 144 R CA 620 394 555 29 144 R CB 618 395 570 28 144 R CG 613 382 578 29 144 R CD 603 384 590 27 144 R NE 591 390 586 29 144 R CZ 580 385 580 28 144 R NH1 579 372 578 29 144 R NH2 571 393 576 28 144 R C 608 389 548 29 144 R O 607 378 543 31 145 A N 599 399 546 32 145 A CA 587 396 539 30 145 A CB 577 408 539 32 145 A C 590 392 525 31 145 A O 583 384 519 33 146 E N 600 399 519 29 146 E CA 603 396 505 30 146 E CB 614 407 500 28 146 E CG 622 404 488 31 146 E CD 614 404 475 34 146 E OE1 617 397 466 34 146 E OE2 604 412 475 35 146 E C 609 383 503 29 146 E O 606 375 494 31 147 I N 619 379 512 30 147 I CA 625 366 511 32 147 I CB 636 364 521 33 147 I CG1 647 374 518 32 147 I CD1 652 372 504 36 147 I CG2 641 349 522 32 147 I C 614 355 513 32 147 I O 613 345 507 33 148 M N 605 358 523 34 148 M CA 595 348 525 38 148 M CB 587 352 538 37 148 M CG 573 348 538 45 148 M SD 571 345 555 49 148 M CE 564 329 554 45 148 M C 586 346 513 39 148 M O 584 334 509 39 149 R N 582 357 507 40 149 R CA 576 356 494 42 149 R CB 572 370 489 42 149 R CG 561 371 478 49 149 R CD 557 386 475 57 149 R NE 556 394 487 61 149 R CZ 564 405 490 65 149 R NH1 562 412 502 65 149 R NH2 574 408 482 68 149 R C 584 349 483 41 149 R O 579 340 476 43 150 S N 597 353 481 40 150 S CA 604 347 470 40 150 S CB 616 356 466 40 150 S OG 626 357 476 43 150 S C 609 333 473 41 150 S O 611 324 464 40 151 F N 611 330 486 41 151 F CA 615 316 489 43 151 F CB 620 314 503 42 151 F CG 624 300 507 45 151 F CD1 634 294 500 49 151 F CE1 638 281 504 50 151 F CZ 631 274 513 49 151 F CE2 620 280 519 51 151 F CD2 616 293 516 49 151 F C 602 306 487 45 151 F O 604 296 481 44 152 S N 590 311 490 48 152 S CA 578 303 486 52 152 S CB 565 309 490 52 152 S OG 565 317 502 53 152 S C 578 300 472 54 152 S O 574 290 468 55 153 L N 582 310 463 57 153 L CA 581 309 449 60 153 L CB 582 322 442 59 153 L CG 570 332 442 60 153 L CD1 575 345 437 59 153 L CD2 558 326 433 60 153 L C 592 300 442 62 153 L O 590 296 430 62 154 S N 603 299 448 64 154 S CA 614 292 442 67 154 S CB 628 297 446 66 154 S OG 629 296 460 66 154 S C 613 277 445 69 154 S O 618 268 438 69 155 T N 605 274 456 71 155 T CA 602 261 461 74 155 T CB 599 264 476 74 155 T OG1 611 261 484 74 155 T CG2 588 255 482 75 155 T C 590 256 454 76 155 T O 590 247 446 77 156 N N 579 264 456 78 156 N CA 565 262 450 81 156 N CB 564 251 440 81 156 N CG 570 254 427 84 156 N OD1 568 265 421 86 156 N ND2 578 244 421 86 156 N C 555 262 461 81 156 N O 544 267 459 82 156 N OXT 557 256 472 82 9 A N 490 613 95 59 9 A CA 486 619 108 59 9 A CB 483 634 107 60 9 A C 474 611 114 59 9 A O 475 606 125 58 10 G N 464 611 105 58 10 G CA 452 603 109 56 10 G C 456 588 110 55 10 G O 452 581 119 54 11 S N 464 583 100 53 11 S CA 467 569 101 52 11 S CB 472 565 87 51 11 S OG 484 571 84 55 11 S C 477 566 112 50 11 S O 476 555 118 49 12 R N 487 575 114 50 12 R CA 496 573 126 49 12 R CB 506 585 126 50 12 R CG 518 582 116 53 12 R CD 529 593 117 61 12 R NE 523 606 117 68 12 R CZ 529 617 112 72 12 R NH1 541 617 107 73 12 R NH2 522 629 113 74 12 R C 488 573 139 46 12 R O 491 564 147 47 13 R N 478 581 141 44 13 R CA 470 580 153 44 13 R CB 461 593 154 45 13 R CG 452 594 166 52 13 R CD 460 594 180 63 13 R NE 451 595 191 71 13 R CZ 455 593 204 75 13 R NH1 467 590 207 76 13 R NH2 446 594 214 78 13 R C 461 567 154 41 13 R O 460 562 166 39 14 T N 457 562 143 38 14 T CA 450 549 143 37 14 T CB 446 546 128 38 14 T OG1 437 556 124 39 14 T CG2 438 533 127 38 14 T C 460 538 147 36 14 T O 456 530 156 36 15 L N 472 538 142 35 15 L CA 482 528 146 37 15 L CB 495 530 138 37 15 L CG 494 525 124 39 15 L CD1 506 528 116 43 15 L CD2 490 509 123 38 15 L C 485 529 161 34 15 L O 486 519 168 36 16 M N 487 541 166 35 16 M CA 489 543 180 35 16 M CB 491 558 183 34 16 M CG 492 561 198 39 16 M SD 496 578 202 47 16 M CE 507 581 193 48 16 M C 478 537 189 34 16 M O 481 530 199 33 17 L N 466 539 185 34 17 L CA 454 534 193 34 17 L CB 441 541 189 34 17 L CG 441 556 192 38 17 L CD1 430 564 184 37 17 L CD2 439 559 208 37 17 L C 453 519 192 33 17 L O 451 512 202 35 18 L N 456 513 181 32 18 L CA 456 498 180 33 18 L CB 458 495 165 34 18 L CG 446 492 156 35 18 L CD1 451 490 142 37 18 L CD2 439 479 161 37 18 L C 467 492 188 33 18 L O 466 482 194 35 19 A N 479 499 188 34 19 A CA 490 494 196 35 19 A CB 503 503 192 34 19 A C 487 495 211 35 19 A O 492 487 219 36 20 Q N 480 505 215 36 20 Q CA 476 507 230 36 20 Q CB 472 522 232 37 20 Q CG 483 532 231 37 20 Q CD 479 547 233 45 20 Q OE1 468 551 229 48 20 Q NE2 488 555 238 43 20 Q C 465 498 234 38 20 Q O 463 496 246 37 21 M N 456 493 225 35 21 M CA 446 484 229 35 21 M CB 436 483 217 35 21 M CG 429 496 214 35 21 M SD 418 496 199 43 21 M CE 414 480 197 38 21 M C 451 471 232 34 21 M O 445 463 238 33 22 R N 463 467 227 34 22 R CA 469 454 229 36 22 R CB 483 453 224 37 22 R CG 487 439 223 38 22 R CD 502 436 222 46 22 R NE 508 435 235 42 22 R CZ 519 428 239 41 22 R NH1 523 430 251 38 22 R NH2 526 420 231 43 22 R C 469 450 244 37 22 R O 472 459 252 37 23 R N 464 438 247 38 23 R CA 464 433 261 41 23 R CB 450 428 264 41 23 R CG 440 439 265 47 23 R CD 426 435 268 53 23 R NE 419 446 272 58 23 R CZ 406 446 277 64 23 R NH1 400 457 281 63 23 R NH2 400 434 278 63 23 R C 474 422 263 40 23 R O 481 422 274 40 24 I N 474 412 254 39 24 I CA 484 401 255 38 24 I CB 475 388 258 39 24 I CG1 466 385 246 37 24 I CD1 458 372 246 38 24 I CG2 468 389 272 37 24 I C 492 400 243 38 24 I O 490 406 232 37 25 S N 502 391 243 37 25 S CA 511 389 232 36 25 S CB 525 383 237 36 25 S OG 533 382 226 37 25 S C 506 379 222 37 25 S O 501 369 226 35 26 L N 508 382 209 35 26 L CA 505 373 199 38 26 L CB 506 379 185 38 26 L CG 518 381 177 43 26 L CD1 525 368 171 49 26 L CD2 515 389 164 46 26 L C 513 360 200 38 26 L O 510 350 195 37 27 F N 525 361 206 38 27 F CA 533 349 209 39 27 F CB 548 353 212 39 27 F CG 555 359 200 40 27 F CD1 560 351 190 43 27 F CE1 567 357 179 45 27 F CZ 567 371 178 46 27 F CE2 562 379 187 40 27 F CD2 556 373 198 41 27 F C 528 340 220 40 27 F O 532 329 221 42 28 S N 518 345 228 40 28 S CA 510 336 236 40 28 S CB 505 344 249 41 28 S OG 516 351 255 42 28 S C 498 329 230 41 28 S O 490 323 237 42 29 C N 496 331 217 41 29 C CA 484 328 210 42 29 C CB 477 341 206 42 29 C SG 472 351 221 47 29 C C 488 321 197 42 29 C O 480 321 187 42 30 L N 500 314 197 42 30 L CA 505 308 184 42 30 L CB 519 303 185 42 30 L CG 530 314 187 47 30 L CD1 543 308 191 48 30 L CD2 531 322 174 46 30 L C 495 297 179 44 30 L O 494 296 166 44 31 K N 489 290 187 44 31 K CA 479 280 183 47 31 K CB 473 271 194 47 31 K CG 467 280 204 50 31 K CD 458 273 215 57 31 K CE 445 280 218 58 31 K NZ 448 294 225 58 31 K C 468 286 174 46 31 K O 462 279 166 45 32 D N 465 299 176 45 32 D CA 454 306 169 44 32 D CB 446 315 178 44 32 D CG 440 307 190 49 32 D OD1 431 299 189 52 32 D OD2 445 310 201 50 32 D C 458 313 156 42 32 D O 450 320 150 42 33 A N 471 312 153 42 33 A CA 477 319 141 42 33 A CB 491 316 138 41 33 A C 468 315 129 42 33 A O 463 304 128 41 34 H N 467 325 120 41 34 H CA 458 323 108 40 34 H CB 443 325 112 40 34 H CG 433 321 102 43 34 H ND1 427 309 101 46 34 H CE1 419 309 91 49 34 H NE2 420 320 84 46 34 H CD2 429 328 91 42 34 H C 462 332 97 39 34 H O 464 344 100 40 35 D N 462 327 85 39 35 D CA 466 336 73 37 35 D CB 476 328 64 36 35 D CG 481 337 53 36 35 D OD1 491 333 46 40 35 D OD2 475 347 49 36 35 D C 454 340 66 37 35 D O 447 332 61 34 36 F N 450 353 68 35 36 F CA 438 358 62 34 36 F CB 433 370 71 34 36 F CG 429 366 84 34 36 F CD1 438 367 95 36 36 F CE1 434 364 108 35 36 F CZ 421 359 111 35 36 F CE2 412 358 100 37 36 F CD2 416 361 87 36 36 F C 438 361 48 34 36 F O 428 366 42 34 37 G N 450 360 42 34 37 G CA 451 363 27 35 37 G C 448 378 24 35 37 G O 440 381 14 34 38 F N 454 387 31 34 38 F CA 452 401 29 33 38 F CB 460 410 38 32 38 F CG 458 425 36 33 38 F CD1 446 431 37 32 38 F CE1 444 445 35 34 38 F CZ 455 452 31 33 38 F CE2 467 446 29 32 38 F CD2 469 433 32 37 38 F C 456 405 14 34 38 F O 467 402 10 33 39 P N 447 411 7 34 39 P CA 451 415 −7 36 39 P CB 437 415 −14 37 39 P CG 428 421 −3 33 39 P CD 433 414 10 35 39 P C 459 427 −8 36 39 P O 455 438 −14 37 40 Q N 472 426 −4 38 40 Q CA 481 438 −4 39 40 Q CB 494 435 3 39 40 Q CG 502 423 −3 46 40 Q CD 515 422 3 52 40 Q OE1 517 416 14 53 40 Q NE2 525 429 −2 56 40 Q C 483 444 −18 39 40 Q O 486 456 −19 37 41 E N 482 435 −28 38 41 E CA 483 440 −42 40 41 E CB 483 428 −52 40 41 E CG 470 421 −54 36 41 E CD 466 411 −43 39 41 E OE1 474 409 −33 37 41 E OE2 455 406 −44 37 41 E C 473 450 −46 41 41 E O 475 457 −56 40 42 E N 462 451 −39 41 42 E CA 452 461 −43 45 42 E CB 438 459 −35 45 42 E CG 430 447 −39 49 42 E CD 433 441 −52 54 42 E OE1 430 446 −63 55 42 E OE2 439 430 −51 60 42 E C 456 475 −39 46 42 E O 451 485 −44 46 43 F N 467 489 −87 80 43 F CA 472 476 −30 47 43 F CB 474 489 −26 52 43 F CG 461 489 −11 50 43 F CD1 456 487 −4 47 43 F CE1 444 474 −1 44 43 F CZ 437 472 6 42 43 F CE2 441 484 9 44 43 F CD2 453 496 6 40 43 F C 486 498 0 42 43 F O 491 492 −32 56 44 G N 492 503 −30 58 44 G CA 505 483 −40 61 44 G C 508 484 −44 66 44 G O 499 494 −55 70 45 N N 520 502 −59 71 45 N CA 525 494 −60 74 45 N CB 541 504 −70 77 45 N CG 545 505 −69 78 45 N OD1 542 518 −62 81 45 N ND2 552 519 −50 83 45 N C 521 527 −69 83 45 N O 523 501 −85 79 46 Q N 516 510 −93 80 46 Q CA 509 486 −100 81 46 Q CB 506 471 −102 81 46 Q CG 494 466 −94 81 46 Q CD 497 463 −79 79 46 Q OE1 488 464 −71 80 46 Q NE2 509 460 −76 79 46 Q C 496 495 −101 82 46 Q O 490 495 −112 82 47 F N 494 503 −91 82 47 F CA 482 513 −90 82 47 F CB 472 508 −81 82 47 F CG 464 496 −85 83 47 F CD1 458 495 −97 85 47 F CE1 451 483 −101 86 47 F CZ 451 472 −92 85 47 F CE2 457 473 −80 85 47 F CD2 464 485 −76 84 47 F C 487 527 −86 81 47 F O 498 529 −80 81 48 A N 479 537 −90 80 48 A CA 481 551 −87 79 48 A CB 475 560 −98 80 48 A C 476 555 −73 79 48 A O 469 547 −66 79 49 A N 479 567 −68 77 49 A CA 474 572 −55 75 49 A CB 481 585 −52 75 49 A C 459 573 −55 74 49 A O 453 567 −46 74 50 A N 453 580 −64 71 50 A CA 439 583 −64 68 50 A CB 436 595 −73 69 50 A C 431 571 −67 66 50 A O 419 571 −64 66 51 A N 437 561 −74 63 51 A CA 430 549 −77 60 51 A CB 438 541 −88 60 51 A C 427 540 −65 57 51 A O 418 532 −66 57 52 T N 436 541 −55 54 52 T CA 434 533 −43 53 52 T CB 448 529 −36 52 52 T OG1 455 541 −33 57 52 T CG2 457 522 −46 55 52 T C 426 539 −32 50 52 T O 423 533 −22 50 53 I N 422 552 −33 47 53 I CA 413 559 −24 46 53 I CB 408 573 −29 46 53 I CG1 420 583 −29 49 53 I CD1 428 583 −16 52 53 I CG2 397 579 −20 46 53 I C 401 550 −20 43 53 I O 399 547 −9 43 54 P N 393 545 −30 42 54 P CA 382 536 −27 41 54 P CB 376 532 −41 40 54 P CG 382 544 −50 41 54 P CD 395 547 −45 41 54 P C 385 523 −19 39 54 P O 376 519 −11 38 55 V N 396 517 −21 38 55 V CA 400 505 −13 38 55 V CB 411 495 −19 38 55 V CG1 406 489 −31 42 55 V CG2 424 502 −23 43 55 V C 405 509 1 36 55 V O 402 502 10 36 56 L N 412 520 2 36 56 L CA 416 525 15 36 56 L CB 426 536 15 37 56 L CG 429 542 29 41 56 L CD1 436 531 38 41 56 L CD2 438 555 29 42 56 L C 403 528 24 34 56 L O 402 524 35 34 57 H N 394 535 17 34 57 H CA 381 539 23 34 57 H CB 372 546 13 35 57 H CG 359 550 18 37 57 H ND1 347 542 16 38 57 H CE1 337 548 21 38 57 H NE2 341 559 27 38 57 H CD2 354 561 25 41 57 H C 374 526 28 34 57 H O 369 526 39 33 58 E N 373 516 19 33 58 E CA 366 503 23 35 58 E CB 366 493 11 34 58 E CG 360 480 14 35 58 E CD 344 481 15 36 58 E OE1 338 473 23 37 58 E OE2 339 490 9 36 58 E C 373 497 35 35 58 E O 366 492 44 34 59 M N 386 497 35 34 59 M CA 393 492 47 34 59 M CB 408 494 44 36 59 M CG 417 490 56 45 59 M SD 432 483 51 58 59 M CE 424 468 49 49 59 M C 390 499 60 33 59 M O 388 493 70 32 60 I N 390 512 59 33 60 I CA 387 520 71 33 60 I CB 391 535 68 35 60 I CG1 406 536 67 38 60 I CD1 411 549 62 40 60 I CG2 386 544 80 32 60 I C 373 518 76 33 60 I O 371 517 88 34 61 Q N 364 517 67 32 61 Q CA 350 515 71 33 61 Q CB 341 516 59 32 61 Q CG 326 512 62 34 61 Q CD 318 522 69 35 61 Q OE1 312 519 80 41 61 Q NE2 318 534 65 33 61 Q C 349 501 77 32 61 Q O 341 500 87 33 62 Q N 355 491 71 31 62 Q CA 355 477 77 32 62 Q CB 361 467 67 31 62 Q CG 353 466 54 32 62 Q CD 339 460 56 36 62 Q OE1 337 453 66 35 62 Q NE2 330 463 47 32 62 Q C 362 476 91 32 62 Q O 358 469 99 32 63 I N 373 484 93 31 63 I CA 379 484 106 30 63 I CB 392 493 106 29 63 I CG1 403 485 98 30 63 I CD1 415 492 94 32 63 I CG2 397 495 120 30 63 I C 369 490 116 30 63 I O 367 485 127 31 64 F N 362 501 112 31 64 F CA 352 507 120 33 64 F CB 346 519 113 32 64 F CG 336 526 121 35 64 F CD1 339 536 130 40 64 F CE1 329 543 138 43 64 F CZ 316 538 138 37 64 F CE2 313 527 129 37 64 F CD2 323 521 121 35 64 F C 341 497 124 34 64 F O 337 495 135 34 65 N N 337 489 114 34 65 N CA 325 480 116 35 65 N CB 321 474 103 36 65 N CG 312 483 94 38 65 N OD1 309 479 83 45 65 N ND2 310 495 98 37 65 N C 329 469 126 36 65 N O 321 464 134 34 66 L N 342 465 124 35 66 L CA 347 453 132 35 66 L CB 361 449 126 34 66 L CG 368 438 134 37 66 L CD1 361 425 134 37 66 L CD2 382 436 128 39 66 L C 348 457 147 34 66 L O 345 449 156 34 67 F N 353 469 150 34 67 F CA 356 473 163 35 67 F CB 369 481 163 35 67 F CG 381 473 162 37 67 F CD1 387 471 149 35 67 F CE1 399 463 147 36 67 F CZ 405 457 159 38 67 F CE2 399 459 171 37 67 F CD2 388 467 173 38 67 F C 345 480 170 36 67 F O 345 482 182 35 68 S N 334 483 163 37 68 S CA 323 489 169 38 68 S CB 317 500 159 38 68 S OG 312 494 148 39 68 S C 312 479 174 38 68 S O 302 483 179 41 69 T N 314 466 172 41 69 T CA 304 457 177 42 69 T CB 306 442 172 43 69 T OG1 319 437 177 42 69 T CG2 308 442 156 41 69 T C 304 456 193 45 69 T O 313 461 199 43 70 L N 294 449 198 47 70 L CA 294 447 213 49 70 L CB 280 442 217 50 70 L CG 277 441 232 55 70 L CD1 278 454 241 62 70 L CD2 263 434 235 61 70 L C 305 438 217 47 70 L O 310 439 228 48 71 D N 308 428 209 46 71 D CA 318 418 211 45 71 D CB 319 408 199 45 71 D CG 307 399 198 49 71 D OD1 305 390 206 48 71 D OD2 299 400 188 52 71 D C 332 426 212 44 71 D O 340 422 220 43 72 S N 334 436 204 42 72 S CA 346 444 205 41 72 S CB 347 454 192 41 72 S OG 358 462 194 36 72 S C 346 452 218 42 72 S O 357 453 224 39 73 S N 334 458 221 42 73 S CA 333 465 233 46 73 S CB 319 472 234 47 73 S OG 319 485 228 50 73 S C 337 457 246 45 73 S O 342 463 256 48 74 A N 335 444 246 46 74 A CA 339 434 256 47 74 A CB 330 422 255 47 74 A C 354 430 256 47 74 A O 359 426 266 47 75 A N 360 432 244 45 75 A CA 374 428 242 44 75 A CB 376 422 228 43 75 A C 384 439 245 43 75 A O 396 436 249 45 76 W N 380 451 243 43 76 W CA 390 462 243 42 76 W CB 392 468 229 39 76 W CG 395 457 219 38 76 W CD1 387 453 209 35 76 W NE1 393 442 202 36 76 W CE2 405 440 207 37 76 W CD2 407 449 218 38 76 W CE3 418 448 226 38 76 W C23 428 439 222 36 76 W CH2 427 430 211 36 76 W CZ2 415 431 204 35 76 W C 386 473 252 44 76 W O 374 475 256 45 77 D N 396 481 256 44 77 D CA 393 493 265 46 77 D CB 406 500 269 45 77 D CG 404 511 278 48 77 D OD1 405 523 274 46 77 D OD2 401 509 290 52 77 D C 383 503 259 46 77 D O 386 509 248 44 78 E N 373 507 267 47 78 E CA 363 516 263 47 78 E CB 352 518 275 48 78 E CG 339 524 270 53 78 E CD 330 530 280 61 78 E OE1 331 525 292 59 78 E OE2 323 539 277 65 78 E C 368 530 259 46 78 E O 364 536 249 47 79 T N 378 535 267 46 79 T CA 383 549 264 46 79 T CB 392 555 275 47 79 T OG1 384 555 287 51 79 T CG2 395 569 272 48 79 T C 391 549 251 45 79 T O 390 558 243 44 80 L N 398 538 249 43 80 L CA 406 537 236 42 80 L CB 416 526 237 42 80 L CG 428 528 247 43 80 L CD1 436 515 247 39 80 L CD2 437 540 243 42 80 L C 397 535 224 40 80 L O 399 541 213 40 81 L N 388 526 225 40 81 L CA 378 523 214 41 81 L CB 368 513 218 39 81 L CG 372 498 217 41 81 L CD1 361 489 223 38 81 L CD2 376 494 203 38 81 L C 370 536 210 41 81 L O 368 539 199 40 82 D N 367 545 220 42 82 D CA 360 557 218 43 82 D CB 354 563 230 46 82 D CG 339 560 233 54 82 D OD1 334 563 244 63 82 D OD2 331 554 224 58 82 D C 369 566 210 42 82 D 0 364 573 200 41 83 K N 381 567 213 39 83 K CA 390 576 205 39 83 K CB 404 579 212 40 83 K CG 402 586 226 43 83 K CD 416 587 233 54 83 K CE 415 595 246 60 83 K NZ 426 606 246 63 83 K C 393 570 191 37 83 K O 395 577 182 38 84 F N 393 557 190 36 84 F CA 395 550 177 36 84 F CB 395 535 180 35 84 F CG 401 525 169 33 84 F CD1 413 528 163 33 84 F CE1 418 518 154 34 84 F CZ 411 507 151 31 84 F CE2 399 504 158 34 84 F CD2 394 514 167 31 84 F C 384 553 167 36 84 F O 386 557 156 36 85 Y N 371 552 172 38 85 Y CA 359 556 164 39 85 Y CB 347 555 172 40 85 Y CG 344 542 178 38 85 Y CD1 348 530 172 34 85 Y CE1 346 518 178 36 85 Y CZ 339 517 190 36 85 Y OH 337 505 197 39 85 Y CE2 335 529 196 37 85 Y CD2 338 541 190 35 85 Y C 361 570 158 41 85 Y O 359 572 146 42 86 T N 364 579 167 42 86 T CA 366 593 162 41 86 T CB 370 601 175 43 86 T OG1 360 602 184 44 86 T CG2 374 616 171 43 86 T C 376 594 151 42 86 T O 374 601 141 42 87 E N 388 588 154 42 87 E CA 398 588 143 42 87 E CB 411 581 149 44 87 E CG 424 588 144 50 87 E CD 424 603 148 55 87 E OE1 422 606 160 60 87 E OE2 428 611 139 59 87 E C 394 581 130 39 87 E O 397 586 119 39 88 L N 386 570 131 39 88 L CA 382 563 119 39 88 L CB 377 549 122 38 88 L CG 387 539 128 39 88 L CD1 380 527 134 34 88 L CD2 397 535 118 37 88 L C 371 572 111 40 88 L O 372 573 99 39 89 Y N 362 577 119 43 89 Y CA 352 587 113 46 89 Y CB 345 595 124 47 89 Y CG 333 589 130 53 89 Y CD1 323 584 122 56 89 Y CE1 312 578 127 60 89 Y CZ 310 578 141 64 89 Y OH 299 572 148 69 89 Y CE2 321 583 149 63 89 Y CD2 332 588 143 58 89 Y C 358 598 104 47 89 Y O 355 600 93 47 90 Q N 368 605 111 46 90 Q CA 375 615 104 47 90 Q CB 384 623 114 48 90 Q CG 393 633 107 55 90 Q CD 386 644 100 64 90 Q OE1 374 646 100 66 90 Q NE2 394 652 93 67 90 Q C 382 610 91 46 90 Q O 383 617 81 45 91 Q N 388 599 92 45 91 Q CA 395 594 80 44 91 Q CB 404 582 83 45 91 Q CG 417 585 89 47 91 Q CD 425 573 93 51 91 Q OE1 433 569 86 53 91 Q NE2 422 568 105 53 91 Q C 385 591 68 44 91 Q O 387 594 57 43 92 L N 373 585 72 45 92 L CA 363 583 62 45 92 L CB 351 576 69 44 92 L CG 353 561 73 46 92 L CD1 342 556 82 46 92 L CD2 355 552 60 45 92 L C 358 596 56 47 92 L O 358 597 43 46 93 N N 355 605 64 49 93 N CA 351 618 60 52 93 N CB 348 626 73 52 93 N CG 339 637 70 58 93 N OD1 343 649 69 62 93 N ND2 326 634 69 60 93 N C 361 625 51 52 93 N O 358 630 39 52 94 D N 374 625 54 53 94 D CA 384 630 45 54 94 D CB 398 628 51 55 94 D CG 401 637 62 60 94 D OD1 393 646 65 64 94 D OD2 412 637 68 66 94 D C 385 624 32 54 94 D O 387 630 22 54 95 L N 384 610 32 54 95 L CA 385 603 19 53 95 L CB 387 588 22 52 95 L CG 401 584 28 53 95 L CD1 400 570 34 50 95 L CD2 412 585 18 52 95 L C 373 604 11 54 95 L O 373 604 −1 53 96 E N 361 606 18 56 96 E CA 349 608 11 58 96 E CB 337 606 20 56 96 E CG 333 592 22 55 96 E CD 324 589 34 52 96 E OE1 317 599 38 48 96 E OE2 323 578 39 52 96 E C 348 621 4 61 96 E O 340 623 −6 61 97 A N 357 631 8 65 97 A CA 357 644 2 70 97 A CB 367 653 10 69 97 A C 361 644 −12 73 97 A O 356 651 −20 74 98 C N 370 634 −15 78 98 C CA 376 633 −28 82 98 C CB 386 621 −28 81 98 C SG 401 625 −20 84 98 C C 366 633 −40 83 98 C O 369 639 −51 84 99 A N 355 626 −38 86 99 A CA 345 625 −49 88 99 A CB 347 611 −56 88 99 A C 330 627 −45 89 99 A O 321 624 −52 89 100 I N 328 634 −33 91 100 I CA 315 639 −30 92 100 I CB 311 635 −15 92 100 I CG1 296 632 −14 92 100 I CD1 293 619 −5 92 100 I CG2 315 646 −4 92 100 I C 314 654 −33 93 100 I O 303 660 −30 93 101 A N 325 660 −38 94 101 A CA 324 673 −44 94 101 A CB 330 684 −34 94 101 A C 332 673 −57 95 101 A O 326 673 −68 95 102 G N 346 672 −56 95 102 G CA 355 672 −67 95 102 G C 354 660 −76 95 102 G O 365 653 −77 96 111 A N 367 520 −127 63 111 A CA 367 520 −112 63 111 A CB 356 529 −107 64 111 A C 367 506 −106 62 111 A O 360 497 −111 63 112 K N 374 505 −94 60 112 K CA 378 492 −89 58 112 K CB 392 495 −81 59 112 K CG 402 505 −87 62 112 K CD 412 499 −97 66 112 K CE 407 501 −111 69 112 K NZ 417 499 −122 70 112 K C 369 484 −80 56 112 K O 372 480 −69 55 113 E N 357 480 −86 53 113 E CA 347 473 −78 50 113 E CB 335 470 −87 50 113 E CG 328 483 −91 56 113 E CD 323 491 −79 62 113 E OE1 318 485 −70 63 113 E OE2 325 504 −80 64 113 E C 351 459 −72 48 113 E O 347 455 −61 46 114 D N 360 452 −80 45 114 D CA 364 439 −75 42 114 D CB 369 430 −87 43 114 D CG 358 426 −96 47 114 D OD1 361 426 −108 54 114 D OD2 346 423 −93 49 114 D C 374 440 −64 39 114 D O 375 431 −55 37 115 S N 382 450 −65 38 115 S CA 392 454 −54 38 115 S CB 401 465 −59 39 115 S OG 411 460 −67 46 115 S C 385 458 −42 38 115 S O 389 454 −31 38 116 I N 375 467 −43 36 116 I CA 366 470 −31 36 116 I CB 355 480 −35 37 116 I CG1 361 494 −38 37 116 I CD1 351 504 −45 39 116 I CG2 343 480 −24 37 116 I C 361 457 −25 36 116 I O 362 455 −12 34 117 L N 356 448 −33 35 117 L CA 350 436 −28 35 117 L CB 344 428 −40 36 117 L CG 330 433 −44 40 117 L CD1 325 424 −55 46 117 L CD2 321 433 −32 42 117 L C 361 427 −22 34 117 L O 358 420 −13 34 118 A N 373 428 −27 32 118 A CA 384 419 −22 33 118 A CB 397 419 −30 32 118 A C 387 423 −7 32 118 A O 388 415 1 31 119 V N 386 436 −5 32 119 V CA 389 441 9 33 119 V CB 391 456 8 33 119 V CG1 391 462 22 32 119 V CG2 404 459 2 30 119 V C 378 437 18 33 119 V O 380 432 29 31 120 R N 366 440 13 32 120 R CA 354 434 20 32 120 R CB 341 438 12 31 120 R CG 328 437 20 33 120 R CD 316 443 12 35 120 R NE 319 457 9 35 120 R CZ 314 463 −2 37 120 R NH1 305 456 −10 34 120 R NH2 317 476 −4 33 120 R C 354 420 24 33 120 R O 351 416 35 33 121 K N 359 411 15 33 121 K CA 359 397 18 33 121 K CB 362 388 6 34 121 K CG 349 387 −3 37 121 K CD 354 380 −16 40 121 K CE 342 373 −23 49 121 K NZ 335 384 −31 51 121 K C 371 393 28 33 121 K O 369 384 37 33 122 Y N 382 400 28 33 122 Y CA 392 399 38 32 122 Y CB 403 409 35 31 122 Y CG 413 411 46 30 122 Y CD1 413 424 53 31 122 Y CE1 422 427 62 30 122 Y CZ 431 417 66 30 122 Y OH 440 421 76 30 122 Y CE2 431 405 61 28 122 Y CD2 422 402 50 28 122 Y C 386 401 52 32 122 Y O 388 392 61 33 123 F N 378 412 54 31 123 F CA 372 414 67 33 123 F CB 366 429 67 32 123 F CG 377 438 70 31 123 F CD1 381 441 83 37 123 F CE1 392 449 86 31 123 F CZ 399 456 76 31 123 F CE2 395 453 62 28 123 F CD2 384 444 60 30 123 F C 361 404 70 34 123 F O 359 400 82 33 124 Q N 354 399 60 35 124 Q CA 345 388 62 37 124 Q CB 337 384 49 39 124 Q CG 326 395 47 39 124 Q CD 320 394 32 47 124 Q OE1 324 384 25 45 124 Q NE2 312 403 29 47 124 Q C 352 376 68 37 124 Q O 347 369 77 37 125 R N 364 373 63 35 125 R CA 372 362 68 37 125 R CB 385 359 60 37 125 R CG 381 355 46 38 125 R CD 392 350 37 36 125 R NE 402 360 33 35 125 R CZ 401 367 22 34 125 R NH1 390 367 15 33 125 R NH2 411 375 19 32 125 R C 376 364 83 36 125 R O 375 355 91 36 126 I N 380 377 86 36 126 I CA 383 380 100 35 126 I CB 388 395 101 34 126 I CG1 403 395 95 34 126 I CD1 408 409 94 33 126 I CG2 388 400 115 34 126 I C 371 378 109 36 126 I O 372 372 120 35 127 T N 359 383 105 37 127 T CA 347 383 113 40 127 T CB 336 390 105 40 127 T OG1 337 404 108 45 127 T CG2 322 387 111 44 127 T C 343 368 116 41 127 T O 340 365 128 43 128 L N 343 360 106 42 128 L CA 341 346 108 44 128 L CB 342 339 94 44 128 L CG 335 326 91 49 128 L CD1 324 330 81 52 128 L CD2 344 315 86 54 128 L C 350 339 117 44 128 L O 346 331 126 43 129 Y N 363 341 115 42 129 Y CA 374 336 124 41 129 Y CB 388 341 119 41 129 Y CG 399 339 130 39 129 Y CD1 408 329 130 41 129 Y CE1 418 327 139 40 129 Y CZ 420 337 149 40 129 Y OH 430 336 159 39 129 Y CE2 411 348 149 41 129 Y CD2 401 349 140 39 129 Y C 370 339 138 42 129 Y O 370 329 147 42 130 L N 367 351 141 41 130 L CA 363 355 155 43 130 L CB 360 370 156 42 130 L CG 373 379 155 41 130 L CD1 369 393 153 37 130 L CD2 381 378 169 39 130 L C 351 348 161 46 130 L O 351 344 173 46 131 K N 341 346 152 48 131 K CA 329 338 156 50 131 K CB 318 338 145 50 131 K CG 311 351 143 55 131 K CD 300 350 132 62 131 K CE 288 341 137 65 131 K NZ 276 341 127 67 131 K C 333 324 160 50 131 K O 329 319 170 52 132 E N 340 318 150 50 132 E CA 345 304 152 52 132 E CB 352 299 140 52 132 E CG 343 300 128 60 132 E CD 348 293 116 67 132 E OE1 360 295 111 71 132 E OE2 340 285 110 71 132 E C 353 301 165 52 132 E O 352 291 171 52 133 K N 362 311 168 52 133 K CA 371 310 180 51 133 K CB 383 319 178 51 133 K CG 393 315 167 49 133 K CD 400 302 170 50 133 K CE 410 298 160 51 133 K NZ 420 288 165 55 133 K C 364 314 192 50 133 K O 369 315 203 52 134 K N 351 318 190 51 134 K CA 342 323 200 50 134 K CB 339 312 211 52 134 K CG 331 300 204 56 134 K CD 325 291 215 66 134 K CE 314 298 223 71 134 K NZ 303 288 226 76 134 K C 347 335 207 49 134 K O 345 337 219 48 135 Y N 354 344 199 47 135 Y CA 359 357 204 45 135 Y CB 347 366 208 45 135 Y CG 338 369 197 48 135 Y CD1 325 362 196 51 135 Y CE1 316 364 186 49 135 Y CZ 320 373 176 49 135 Y OH 311 375 165 50 135 Y CE2 332 380 176 47 135 Y CD2 341 378 186 49 135 Y C 369 356 216 43 135 Y O 369 364 225 42 136 S N 377 345 216 43 136 S CA 387 344 227 43 136 S CB 394 330 226 43 136 S OG 403 330 215 44 136 S C 396 355 228 43 136 S O 398 362 217 43 137 P N 402 358 239 43 137 P CA 413 368 240 42 137 P CB 419 365 255 42 137 P CG 406 362 262 42 137 P CD 399 353 253 42 137 P C 424 366 230 40 137 P O 429 376 224 39 138 C N 427 353 228 38 138 C CA 438 350 218 41 138 C CB 442 335 219 40 138 C SG 454 333 232 48 138 C C 434 353 204 40 138 C O 442 358 196 39 139 A N 421 349 200 38 139 A CA 416 352 187 37 139 A CB 402 346 185 37 139 A C 416 367 184 36 139 A O 420 371 173 36 140 W N 411 375 193 36 140 W CA 411 389 192 37 140 W CB 404 395 205 37 140 W CG 389 399 202 40 140 W CD1 378 394 209 40 140 W NE1 366 400 204 39 140 W CE2 370 408 194 42 140 W CD2 384 408 192 39 140 W CE3 390 416 182 40 140 W C23 381 424 174 38 140 W CH2 367 424 176 39 140 W CZ2 361 416 186 41 140 W C 425 395 191 36 140 W O 426 405 185 35 141 E N 435 390 198 35 141 E CA 448 395 197 35 141 E CB 457 389 208 34 141 E CG 472 393 206 30 141 E CD 475 408 204 32 141 E OE1 466 416 208 34 141 E OE2 485 411 198 32 141 E C 454 392 183 34 141 E O 461 400 177 34 142 V N 451 380 178 34 142 V CA 456 377 165 35 142 V CB 452 362 162 35 142 V CG1 452 360 146 37 142 V CG2 460 352 169 36 142 V C 450 387 155 33 142 V O 457 392 146 33 143 V N 437 390 157 33 143 V CA 430 399 148 31 143 V CB 415 398 150 32 143 V CG1 407 411 144 32 143 V CG2 410 385 144 31 143 V C 436 413 149 30 143 V O 438 420 139 30 144 R N 438 418 162 31 144 R CA 442 431 164 30 144 R CB 442 435 179 31 144 R CG 448 449 182 30 144 R CD 455 450 196 32 144 R NE 468 442 196 32 144 R CZ 479 447 190 28 144 R NH1 480 459 185 29 144 R NH2 489 438 189 30 144 R C 456 433 157 30 144 R O 458 443 150 30 145 A N 465 423 160 29 145 A CA 479 423 154 30 145 A CB 487 412 159 31 145 A C 478 423 139 30 145 A O 486 430 132 29 146 E N 469 414 133 30 146 E CA 468 413 119 29 146 E CB 456 403 116 29 146 E CG 450 403 102 32 146 E CD 461 399 91 34 146 E OE1 459 404 79 31 146 E OE2 470 392 94 34 146 E C 464 427 112 30 146 E O 469 430 101 31 147 I N 454 434 118 28 147 I CA 449 447 113 28 147 I CB 436 451 121 27 147 I CG1 424 442 117 29 147 I CD1 421 442 102 35 147 I CG2 432 466 118 28 147 I C 460 457 115 29 147 I O 462 466 106 28 148 M N 468 456 126 29 148 M CA 479 465 128 31 148 M CB 487 462 141 31 148 M CG 499 471 143 41 148 M SD 493 485 153 53 148 M CE 509 495 154 47 148 M C 489 464 115 31 148 M O 493 474 109 30 149 R N 491 451 112 31 149 R CA 500 448 101 31 149 R CB 503 433 100 32 149 R CG 513 429 112 37 149 R CD 519 415 110 40 149 R NE 508 405 109 38 149 R CZ 502 398 118 38 149 R NH1 493 389 115 38 149 R NH2 506 400 131 34 149 R C 494 452 87 32 149 R O 501 458 79 30 150 S N 481 449 85 31 150 S CA 476 452 71 33 150 S CB 464 443 68 33 150 S OG 453 447 77 34 150 S C 473 466 69 33 150 S O 474 472 58 34 151 F N 468 473 80 33 151 F CA 466 487 79 34 151 F CB 458 492 92 35 151 F CG 455 507 92 38 151 F CD1 445 512 83 40 151 F CE1 442 526 83 41 151 F CZ 450 534 90 39 151 F CE2 460 530 98 42 151 F CD2 463 516 99 39 151 F C 479 495 77 35 151 F O 480 505 69 34 152 S N 490 491 84 34 152 S CA 503 497 83 39 152 S CB 514 490 91 37 152 S OG 512 493 104 46 152 S C 507 496 68 41 152 S O 513 505 63 42 153 L N 504 485 63 41 153 L CA 510 481 50 45 153 L CB 508 466 48 44 153 L CG 514 459 35 47 153 L CD1 528 463 34 48 153 L CD2 513 444 37 48 153 L C 502 489 39 46 153 L O 508 495 30 46 154 S N 489 490 41 48 154 S CA 480 496 31 51 154 S CB 467 490 32 49 154 S OG 459 497 42 52 154 S C 480 512 32 53 154 S O 475 518 22 55 155 T N 485 518 42 56 155 T CA 487 532 42 59 155 T CB 482 539 55 58 155 T OG1 489 534 67 58 155 T CG2 468 536 58 58 155 T C 502 535 38 62 155 T O 504 544 29 63 156 N N 512 529 43 66 156 N CA 526 530 40 70 156 N CB 535 522 49 70 156 N CG 535 527 63 73 156 N OD1 546 525 70 75 156 N ND2 524 532 69 74 156 N C 529 527 25 72 156 N O 540 531 20 72 157 L N 519 521 18 73 157 L CA 520 518 4 75 157 L CB 515 504 0 75 157 L CG 523 491 3 76 157 L CD1 518 479 −4 77 157 L CD2 539 493 0 79 157 L C 512 529 −4 76 157 L O 503 526 −12 76 3 A N 452 381 −264 92 3 A CA 440 389 −268 93 3 A CB 443 397 −281 93 3 A C 426 381 −270 92 3 A O 416 386 −265 92 4 P N 426 369 −276 92 4 P CA 414 361 −277 91 4 P CB 416 351 −288 91 4 P CG 431 349 −289 91 4 P CD 437 362 −282 91 4 P C 410 353 −264 90 4 P O 418 354 −254 90 5 A N 399 346 −263 89 5 A CA 395 338 −252 87 5 A CB 380 335 −252 87 5 A C 404 325 −250 85 5 A O 413 324 −242 86 6 A N 400 314 −257 83 6 A CA 407 301 −259 81 6 A CB 422 304 −262 81 6 A C 406 291 −248 79 6 A O 407 279 −250 79 7 H N 403 295 −235 75 7 H CA 403 287 −223 71 7 H CB 410 294 −212 70 7 H CG 425 295 −213 65 7 H ND1 434 286 −206 59 7 H CE1 446 289 −209 57 7 H NE2 446 300 −217 57 7 H CD2 433 303 −220 59 7 H C 390 283 −218 70 7 H O 388 280 −206 70 8 S N 379 282 −227 69 8 S CA 366 279 −222 67 8 S CB 355 288 −228 67 8 S OG 357 290 −242 70 8 S C 362 264 −224 65 8 S O 356 259 −215 65 9 L N 365 258 −235 63 9 L CA 363 244 −237 61 9 L CB 364 239 −251 62 9 L CG 360 224 −254 64 9 L CD1 346 222 −248 67 9 L CD2 361 220 −269 68 9 L C 372 236 −228 59 9 L O 368 226 −222 58 10 G N 385 240 −228 56 10 G CA 395 233 −220 53 10 G C 391 232 −205 51 10 G O 392 222 −198 50 11 S N 387 244 −200 50 11 S CA 384 246 −186 49 11 S CB 381 261 −185 49 11 S OG 374 264 −173 56 11 S C 372 237 −183 47 11 S O 372 231 −172 44 12 R N 362 236 −192 45 12 R CA 350 228 −188 44 12 R CB 339 230 −199 45 12 R CG 329 219 −199 51 12 R CD 315 222 −207 61 12 R NE 305 214 −200 68 12 R CZ 292 216 −202 70 12 R NH1 287 225 −211 75 12 R NH2 283 208 −195 66 12 R C 354 213 −187 42 12 R O 350 207 −178 39 13 R N 363 208 −196 39 13 R CA 368 194 −195 39 13 R CB 376 190 −207 41 13 R CG 369 193 −221 45 13 R CD 378 189 −233 57 13 R NE 385 200 −239 65 13 R CZ 397 201 −245 69 13 R NH1 402 212 −250 71 13 R NH2 405 190 −245 71 13 R C 375 191 −182 38 13 R O 374 181 −176 37 14 T N 384 201 −178 37 14 T CA 391 200 −166 36 14 T CB 400 212 −164 36 14 T OG1 409 213 −175 38 14 T CG2 409 212 −152 36 14 T C 382 199 −153 35 14 T O 385 191 −144 34 15 L N 373 208 −153 35 15 L CA 363 209 −142 35 15 L CB 354 221 −144 36 15 L CG 361 234 −140 39 15 L CD1 352 245 −145 43 15 L CD2 363 234 −125 40 15 L C 356 196 −141 36 15 L O 353 191 −130 34 16 M N 352 190 −152 37 16 M CA 344 178 −152 38 16 M CB 340 174 −167 40 16 M CG 324 175 −170 50 16 M SD 315 158 −172 65 16 M CE 328 149 −184 56 16 M C 352 166 −146 36 16 M O 347 158 −139 35 17 L N 365 166 −148 35 17 L CA 374 156 −143 34 17 L CB 387 156 −150 36 17 L CG 386 152 −165 38 17 L CD1 398 156 −173 41 17 L CD2 385 136 −165 38 17 L C 376 158 −128 33 17 L O 377 149 −120 33 18 L N 378 170 −124 34 18 L CA 379 173 −109 34 18 L CB 381 188 −107 35 18 L CG 396 193 −108 37 18 L CD1 396 208 −109 35 18 L CD2 404 187 −95 33 18 L C 366 169 −102 33 18 L O 366 165 −91 33 19 A N 355 171 −109 33 19 A CA 342 167 −103 33 19 A CB 330 172 −111 34 19 A C 342 152 −101 33 19 A O 338 147 −91 34 20 Q N 347 145 −111 34 20 Q CA 347 130 −111 34 20 Q CB 350 124 −125 34 20 Q CG 339 127 −135 35 20 Q CD 343 122 −148 44 20 Q OE1 347 130 −157 46 20 Q NE2 341 109 −151 43 20 Q C 357 124 −101 34 20 Q O 355 113 −97 36 21 M N 367 132 −97 35 21 M CA 377 127 −87 35 21 M CB 389 136 −88 35 21 M CG 397 134 −101 40 21 M SD 409 148 −104 48 21 M CE 418 147 −91 35 21 M C 372 127 −73 37 21 M O 377 120 −65 37 22 R N 361 133 −70 37 22 R CA 355 133 −57 37 22 R CB 341 141 −56 37 22 R CG 336 142 −41 39 22 R CD 322 145 −36 46 22 R NE 316 132 −33 42 22 R CZ 306 128 −26 39 22 R NH1 304 115 −27 35 22 R NH2 298 135 −19 38 22 R C 353 119 −51 38 22 R O 346 111 −58 38 23 R N 359 116 −40 38 23 R CA 357 103 −32 39 23 R CB 370 97 −28 39 23 R CG 380 96 −39 45 23 R CD 392 90 −33 49 23 R NE 399 82 −43 59 23 R CZ 411 75 −40 62 23 R NH1 416 68 −50 62 23 R NH2 417 76 −28 57 23 R C 348 104 −20 39 23 R O 341 94 −17 39 24 I N 350 115 −12 38 24 I CA 341 116 −1 37 24 I CB 349 115 13 38 24 I CG1 360 126 14 38 24 I CD1 366 127 28 41 24 I CG2 355 100 14 37 24 I C 334 130 −1 38 24 I O 338 139 −9 36 25 S N 325 132 8 37 25 S CA 316 143 9 38 25 S CB 303 139 15 36 25 S OG 294 151 16 36 25 S C 322 155 16 36 25 S O 327 152 27 38 26 L N 321 167 12 37 26 L CA 324 179 19 38 26 L CB 321 191 12 39 26 L CG 329 194 −1 41 26 L CD1 321 204 −10 43 26 L CD2 342 200 4 45 26 L C 317 179 33 40 26 L O 321 185 42 40 27 F N 305 172 33 41 27 F CA 296 173 44 41 27 F CB 281 170 41 40 27 F CG 274 181 33 41 27 F CD1 269 192 40 42 27 F CE1 263 203 34 39 27 F CZ 262 202 20 40 27 F CE2 267 191 13 38 27 F CD2 273 180 19 39 27 F C 301 164 55 42 27 F O 297 165 67 44 28 S N 310 155 52 41 28 S CA 317 146 61 41 28 S CB 321 133 55 41 28 S OG 309 126 50 41 28 S C 330 153 67 42 28 S O 337 147 75 41 29 C N 332 165 62 42 29 C CA 345 172 65 41 29 C CB 354 172 52 40 29 C SG 356 156 45 47 29 C C 343 186 70 40 29 C O 352 195 67 40 30 L N 332 189 76 41 30 L CA 329 203 80 43 30 L CB 315 204 86 44 30 L CG 304 200 76 43 30 L CD1 291 199 83 47 30 L CD2 303 210 65 45 30 L C 339 209 89 43 30 L O 341 221 89 43 31 K N 346 201 97 43 31 K CA 356 206 107 44 31 K CB 359 195 117 45 31 K CG 366 183 109 49 31 K CD 372 172 119 58 31 K CE 381 162 111 60 31 K NZ 375 157 98 59 31 K C 368 211 100 44 31 K O 376 218 106 43 32 D N 370 206 87 42 32 D CA 381 210 79 41 32 D CB 386 198 71 42 32 D CG 390 187 80 45 32 D OD1 399 188 88 44 32 D OD2 383 176 81 49 32 D C 379 222 69 40 32 D O 388 226 62 38 33 A N 367 228 70 39 33 A CA 364 240 62 39 33 A CB 349 245 64 40 33 A C 374 251 64 39 33 A O 378 254 75 37 34 H N 378 257 53 37 34 H CA 389 267 54 38 34 H CB 403 260 52 37 34 H CG 414 270 55 42 34 H ND1 420 271 68 46 34 H CE1 429 280 67 46 34 H NE2 429 286 55 45 34 H CD2 420 279 47 43 34 H C 386 277 43 37 34 H O 383 273 32 36 35 D N 388 290 46 37 35 D CA 387 300 35 36 35 D CB 377 311 39 39 35 D CG 374 321 27 41 35 D OD1 364 328 29 43 35 D OD2 382 322 17 41 35 D C 401 305 31 36 35 D O 408 311 39 35 36 F N 405 301 19 32 36 F CA 418 304 14 31 36 F CB 423 294 4 30 36 F CG 424 280 9 30 36 F CD1 412 271 8 31 36 F CE1 413 258 14 31 36 F CZ 425 254 20 31 36 F CE2 436 262 21 32 36 F CD2 435 275 16 32 36 F C 420 318 9 31 36 F O 431 322 4 31 37 G N 409 326 8 31 37 G CA 410 340 3 32 37 G C 416 341 −11 33 37 G O 425 348 −14 34 38 F N 409 334 −21 35 38 F CA 413 333 −34 34 38 F CB 404 324 −43 35 38 F CG 408 324 −57 36 38 F CD1 420 320 −61 37 38 F CE1 424 320 −75 39 38 F CZ 414 323 −85 42 38 F CE2 402 328 −81 39 38 F CD2 398 328 −67 38 38 F C 412 347 −40 35 38 F O 400 353 −39 36 39 P N 422 353 −47 34 39 P CA 422 366 −52 35 39 P CB 437 369 −55 35 39 P CG 444 356 −57 36 39 P CD 435 346 −49 35 39 P C 414 367 −66 36 39 P O 420 369 −76 35 40 Q N 401 364 −66 37 40 Q CA 393 364 −78 38 40 Q CB 379 360 −76 39 40 Q CG 371 368 −66 44 40 Q CD 357 363 −64 50 40 Q OE1 354 356 −54 53 40 Q NE2 348 368 −72 53 40 Q C 394 377 −86 40 40 Q O 393 377 −99 40 41 E N 395 388 −79 40 41 E CA 397 401 −85 41 41 E CB 398 412 −74 42 41 E CG 412 413 −68 39 41 E CD 414 403 −56 38 41 E OE1 406 395 −53 38 41 E OE2 425 404 −50 40 41 E C 408 403 −96 42 41 E O 407 411 −105 42 42 E N 419 395 −95 42 42 E CA 430 395 −105 45 42 E CB 441 386 −102 45 42 E CG 448 387 −88 48 42 E CD 448 400 −82 49 42 E OE1 455 410 −87 51 42 E OE2 442 401 −71 56 42 E C 425 390 −118 47 42 E O 432 391 −128 47 43 F N 413 384 −119 48 43 F CA 407 378 −131 52 43 F CB 404 363 −129 50 43 F CG 416 355 −125 50 43 F CD1 419 353 −111 46 43 F CE1 429 346 −107 44 43 F CZ 438 339 −116 45 43 F CE2 435 341 −130 44 43 F CD2 424 349 −134 47 43 F C 395 386 −135 55 43 F O 388 381 −144 56 44 G N 391 397 −128 57 44 G CA 379 404 −130 61 44 G C 379 415 −141 63 44 G O 389 418 −147 64 45 A N 367 421 −142 65 45 A CA 364 432 −152 67 45 A CB 350 437 −150 67 45 A C 374 444 −152 68 45 A O 374 452 −161 68 46 Q N 381 447 −140 68 46 Q CA 390 458 −139 68 46 Q CB 395 460 −125 68 46 Q CG 386 454 −115 66 46 Q CD 390 457 −101 64 46 Q OE1 383 463 −93 60 46 Q NE2 403 454 −97 63 46 Q C 402 455 −148 69 46 Q O 411 464 −149 69 47 F N 403 443 −154 70 47 F CA 414 439 −162 71 47 F CB 422 428 −154 71 47 F CG 427 433 −141 72 47 F CD1 421 429 −129 72 47 F CE1 426 434 −117 71 47 F CZ 437 443 −116 74 47 F CE2 443 447 −128 75 47 F CD2 438 442 −140 75 47 F C 410 435 −176 71 47 F O 400 428 −178 70 48 A N 418 439 −185 71 48 A CA 417 435 −199 71 48 A CB 424 445 −209 71 48 A C 424 421 −201 71 48 A O 433 418 −193 71 49 A N 419 413 −211 70 49 A CA 425 400 −213 70 49 A CB 419 394 −227 70 49 A C 440 399 −213 70 49 A O 446 390 −206 70 50 A N 447 409 −219 68 50 A CA 462 409 −219 67 50 A CB 467 420 −229 68 50 A C 468 410 −206 66 50 A O 480 406 −204 66 51 E N 461 415 −196 65 51 E CA 465 415 −182 64 51 E CB 460 427 −175 65 51 E CG 466 441 −178 69 51 E CD 460 452 −170 74 51 E OE1 468 458 −162 76 51 E OE2 448 456 −172 75 51 E C 463 402 −175 62 51 E O 470 398 −166 62 52 T N 451 395 −178 59 52 T CA 447 384 −170 56 52 T CB 432 382 −169 56 52 T OG1 426 381 −182 57 52 T CG2 426 394 −162 57 52 T C 454 371 −176 55 52 T O 456 362 −168 53 53 I N 457 370 −189 52 53 I CA 463 358 −194 50 53 I CB 467 360 −210 50 53 I CG1 454 362 −218 52 53 I CD1 443 352 −216 56 53 I CG2 474 347 −215 48 53 I C 475 354 −186 48 53 I O 476 342 −183 48 54 P N 485 362 −183 47 54 P CA 496 358 −175 46 54 P CB 505 370 −173 46 54 P CG 502 378 −185 47 54 P CD 487 376 −188 48 54 P C 492 352 −161 45 54 P O 498 342 −156 43 55 V N 482 358 −155 44 55 V CA 477 353 −141 43 55 V CB 468 364 −135 44 55 V CG1 467 361 −120 45 55 V CG2 473 378 −137 46 55 V C 470 340 −143 42 55 V O 472 331 −134 41 56 L N 462 338 −153 40 56 L CA 456 326 −156 40 56 L CB 446 327 −168 41 56 L CG 440 314 −172 42 56 L CD1 432 307 −160 40 56 L CD2 432 316 −184 42 56 L C 466 315 −158 40 56 L O 465 304 −153 40 57 H N 476 318 −167 40 57 H CA 486 308 −170 40 57 H CB 496 314 −181 41 57 H CG 490 313 −195 40 57 H ND1 497 315 −206 43 57 H CE1 489 314 −217 45 57 H NE2 477 311 −213 43 57 H CD2 477 310 −199 44 57 H C 494 304 −157 40 57 H O 498 293 −156 39 58 E N 496 314 −147 39 58 E CA 502 310 −134 39 58 E CB 505 322 −126 39 58 E CG 512 319 −112 42 58 E CD 526 314 −114 45 58 E OE1 531 306 −105 44 58 E OE2 533 318 −124 49 58 E C 493 300 −126 38 58 E O 498 291 −119 38 59 M N 480 303 −126 37 59 M CA 470 294 −120 38 59 M CB 456 300 −124 38 59 M CG 444 294 −118 43 59 M SD 443 300 −101 47 59 M CE 428 290 −97 45 59 M C 472 280 −125 37 59 M O 472 270 −118 37 60 I N 473 278 −139 38 60 I CA 474 265 −145 37 60 I CB 473 266 −160 38 60 I CG1 461 273 −165 38 60 I CD1 447 266 −162 41 60 I CG2 474 252 −166 38 60 I C 487 258 −140 36 60 I O 487 247 −137 34 61 Q N 498 266 −140 35 61 Q CA 510 261 −136 34 61 Q CB 521 272 −136 35 61 Q CG 534 267 −129 37 61 Q CD 541 257 −138 43 61 Q OE1 543 245 −136 39 61 Q NE2 546 262 −150 41 61 Q C 509 256 −121 34 61 Q O 513 245 −118 34 62 Q N 503 264 −113 32 62 Q CA 501 261 −98 32 62 Q CB 496 273 −90 33 62 Q CG 506 284 −90 35 62 Q CD 518 281 −82 37 62 Q OE1 518 273 −73 38 62 Q NE2 530 286 −86 37 62 Q C 492 248 −96 31 62 Q O 494 240 −88 30 63 I N 481 247 −105 30 63 I CA 473 235 −104 32 63 I CB 460 237 −112 32 63 I CG1 451 247 −105 31 63 I CD1 441 253 −115 36 63 I CG2 452 224 −113 30 63 I C 481 222 −108 32 63 I O 481 212 −101 33 64 F N 489 224 −119 33 64 F CA 498 213 −123 34 64 F CB 507 217 −135 34 64 F CG 518 207 −137 38 64 F CD1 517 196 −146 44 64 F CE1 527 186 −148 41 64 F CZ 538 187 −140 41 64 F CE2 540 197 −131 40 64 F CD2 530 207 −129 40 64 F C 507 209 −111 34 64 F O 508 197 −108 34 65 N N 513 219 −104 33 65 N CA 522 216 −93 34 65 N CB 528 229 −87 35 65 N CG 538 236 −97 39 65 N OD1 542 248 −95 45 65 N ND2 542 229 −108 39 65 N C 515 210 −81 35 65 N O 520 200 −75 35 66 L N 503 214 −78 35 66 L CA 496 209 −67 35 66 L CB 483 217 −64 35 66 L CG 474 213 −53 35 66 L CD1 481 213 −39 38 66 L CD2 462 222 −53 31 66 L C 492 194 −68 35 66 L O 492 187 −59 35 67 F N 488 190 −80 36 67 F CA 482 177 −82 37 67 F CB 470 177 −91 38 67 F CG 458 182 −84 35 67 F CD1 455 196 −86 33 67 F CE1 443 202 −80 36 67 F CZ 435 193 −72 36 67 F CE2 438 180 −71 39 67 F CD2 450 174 −77 38 67 F C 492 167 −88 40 67 F O 488 155 −92 40 68 S N 505 170 −89 41 68 S CA 515 162 −95 43 68 S CB 523 170 −106 41 68 S OG 530 181 −99 42 68 S C 525 156 −85 45 68 S O 534 149 −89 48 69 T N 523 159 −72 45 69 T CA 530 153 −62 46 69 T CB 529 161 −49 46 69 T OG1 516 160 −44 47 69 T CG2 531 176 −51 47 69 T C 526 138 −58 46 69 T O 515 134 −61 45 70 A N 535 132 −52 47 70 A CA 533 119 −46 48 70 A CB 546 115 −38 48 70 A C 521 118 −37 48 70 A O 513 108 −37 49 71 D N 519 129 −29 47 71 D CA 507 130 −21 47 71 D CB 508 143 −12 47 71 D CG 521 144 −4 49 71 D OD1 522 136 6 52 71 D OD2 530 151 −7 49 71 D C 494 130 −29 45 71 D O 485 123 −26 46 72 S N 494 138 −40 45 72 S CA 483 139 −49 45 72 S CB 485 149 −60 44 72 S OG 475 148 −70 46 72 S C 480 125 −55 46 72 S O 469 120 −56 44 73 S N 491 118 −60 45 73 S CA 490 105 −66 48 73 S CB 504 100 −71 48 73 S OG 507 106 −83 53 73 S C 484 95 −57 48 73 S O 476 86 −61 48 74 A N 487 96 −44 48 74 A CA 481 87 −34 48 74 A CB 489 87 −20 48 74 A C 466 90 −31 48 74 A O 459 82 −25 50 75 A N 462 102 −35 47 75 A CA 449 107 −30 46 75 A CB 451 122 −26 46 75 A C 438 105 −40 45 75 A O 426 104 −37 45 76 W N 442 105 −53 44 76 W CA 432 106 −64 43 76 W CB 434 119 −72 42 76 W CG 433 131 −63 42 76 W CD1 443 140 −60 39 76 W NE1 438 150 −51 37 76 W CE2 425 147 −48 39 76 W CD2 421 135 −55 39 76 W CE3 408 129 −54 37 76 W CZ3 399 136 −45 36 76 W CH2 403 148 −38 40 76 W CZ2 416 153 −40 38 76 W C 433 94 −74 42 76 W O 444 88 −75 42 77 D N 422 90 −80 42 77 D CA 422 80 −91 43 77 D CB 408 79 −97 44 77 D CG 407 68 −108 46 77 D OD1 409 71 −120 46 77 D OD2 405 56 −105 48 77 D C 433 82 −102 42 77 D O 432 93 −109 42 78 E N 441 73 −105 43 78 E CA 451 74 −115 43 78 E CB 462 63 −115 45 78 E CG 471 64 −127 45 78 E CD 483 73 −124 49 78 E OE1 493 74 −133 52 78 E OE2 484 79 −113 49 78 E C 446 77 −129 43 78 E O 451 86 −136 44 79 T N 435 70 −134 42 79 T CA 430 72 −147 42 79 T CB 420 62 −151 42 79 T OG1 426 49 −152 45 79 T CG2 414 64 −165 42 79 T C 425 86 −148 41 79 T O 427 93 −158 40 80 L N 418 91 −138 40 80 L CA 413 105 −139 40 80 L CB 402 108 −128 40 80 L CG 389 100 −129 41 80 L CD1 381 102 −115 43 80 L CD2 381 104 −141 40 80 L C 424 115 −138 37 80 L O 423 125 −145 39 81 L N 434 113 −129 37 81 L CA 446 122 −129 38 81 L CB 456 117 −118 38 81 L CG 454 122 −104 40 81 L CD1 464 115 −95 41 81 L CD2 455 138 −103 34 81 L C 453 123 −142 38 81 L O 456 135 −146 37 82 D N 455 112 −149 38 82 D CA 461 113 −162 38 82 D CB 464 99 −168 39 82 D CG 474 92 −160 43 82 D OD1 476 79 −161 44 82 D OD2 482 98 −152 43 82 D C 453 121 −172 38 82 D O 458 129 −179 40 83 K N 440 119 −172 37 83 K CA 432 127 −181 37 83 K CB 417 122 −180 39 83 K CG 414 109 −189 42 83 K CD 400 103 −186 52 83 K CE 399 88 −191 57 83 K NZ 385 83 −194 61 83 K C 433 142 −177 37 83 K O 433 150 −186 35 84 F N 433 144 −164 35 84 F CA 433 158 −159 35 84 F CB 433 157 −144 35 84 F CG 434 170 −137 35 84 F CD1 424 179 −137 36 84 F CE1 424 192 −130 40 84 F CZ 435 195 −122 34 84 F CE2 446 186 −121 36 84 F CD2 445 173 −129 37 84 F C 447 165 −164 35 84 F O 446 176 −169 34 85 Y N 458 158 −162 36 85 Y CA 471 163 −168 37 85 Y CB 482 154 −164 37 85 Y CG 486 159 −151 40 85 Y CD1 494 170 −150 45 85 Y CE1 497 176 −137 47 85 Y CZ 492 170 −126 48 85 Y OH 495 176 −114 52 85 Y CE2 484 159 −127 45 85 Y CD2 481 154 −139 43 85 Y C 471 166 −183 38 85 Y O 476 176 −187 39 86 T N 465 157 −190 38 86 T CA 464 159 −205 39 86 T CB 456 147 −211 39 86 T OG1 464 135 −209 39 86 T CG2 456 148 −226 42 86 T C 456 172 −208 39 86 T O 461 179 −217 40 87 E N 446 176 −200 39 87 E CA 440 189 −202 38 87 E CB 427 190 −194 39 87 E CG 416 180 −197 41 87 E CD 413 178 −212 49 87 E OE1 411 189 −218 48 87 E OE2 412 167 −216 53 87 E C 449 200 −198 38 87 E O 450 210 −205 38 88 L N 455 198 −187 36 88 L CA 464 209 −182 37 88 L CB 470 206 −169 35 88 L CG 460 206 −157 37 88 L CD1 468 203 −145 35 88 L CD2 453 219 −155 36 88 L C 475 212 −192 36 88 L O 478 224 −193 36 89 Y N 481 202 −199 36 89 Y CA 492 205 −208 36 89 Y CB 498 193 −214 36 89 Y CG 503 183 −204 36 89 Y CD1 512 188 −194 40 89 Y CE1 517 180 −184 41 89 Y CZ 514 166 −185 37 89 Y OH 519 158 −176 39 89 Y CE2 506 161 −195 35 89 Y CD2 501 170 −205 39 89 Y C 488 215 −219 37 89 Y O 495 225 −222 37 90 Q N 475 214 −223 36 90 Q CA 470 222 −234 38 90 Q CB 457 216 −239 39 90 Q CG 459 203 −245 42 90 Q CD 446 197 −251 51 90 Q OE1 439 204 −259 53 90 Q NE2 442 185 −247 50 90 Q C 467 236 −229 39 90 Q O 466 245 −238 41 91 Q N 466 239 −216 38 91 Q CA 463 252 −212 39 91 Q CB 452 251 −201 39 91 Q CG 438 247 −206 39 91 Q CD 428 246 −195 45 91 Q OE1 422 256 −191 50 91 Q NE2 426 234 −190 44 91 Q C 475 260 −206 39 91 Q O 474 271 −202 39 92 L N 487 253 −205 39 92 L CA 498 260 −199 39 92 L CB 510 250 −196 39 92 L CG 509 240 −185 40 92 L CD1 519 228 −187 38 92 L CD2 511 247 −172 40 92 L C 504 272 −208 40 92 L O 509 282 −202 38 93 N N 504 270 −221 39 93 N CA 512 279 −230 41 93 N CB 526 274 −229 40 93 N CG 536 282 −237 42 93 N OD1 534 294 −239 40 93 N ND2 548 277 −240 37 93 N C 505 279 −244 42 93 N O 511 274 −253 41 94 D N 493 283 −244 44 94 D CA 485 282 −257 47 94 D CB 470 279 −255 47 94 D CG 463 290 −247 50 94 D OD1 469 294 −237 46 94 D OD2 453 296 −251 57 94 D C 487 293 −267 49 94 D O 481 293 −278 49 95 L N 496 302 −263 52 95 L CA 502 313 −272 56 95 L CB 511 307 −283 56 95 L CG 524 300 −279 56 95 L CD1 529 292 −291 56 95 L CD2 534 310 −273 56 95 L C 490 321 −278 59 95 L O 488 320 −290 60 96 E N 483 328 −269 61 96 E CA 473 337 −274 63 96 E CB 467 345 −262 62 96 E CG 456 336 −255 60 96 E CD 462 327 −244 57 96 E OE1 454 322 −237 54 96 E OE2 474 326 −243 51 96 E C 478 348 −284 65 96 E O 488 354 −281 66 97 A N 470 349 −294 67 97 A CA 475 353 −308 69 97 A CB 472 342 −318 69 97 A C 469 367 −312 70 97 A O 460 373 −306 71 112 A N 518 412 −148 60 112 A CA 519 419 −135 59 112 A CB 506 426 −131 60 112 A C 524 410 −124 58 112 A O 517 401 −120 58 113 A N 536 413 −119 56 113 A CA 543 405 −109 55 113 A CB 557 411 −106 55 113 A C 535 404 −96 54 113 A O 535 393 −89 54 114 D N 528 415 −92 53 114 D CA 520 414 −79 51 114 D CB 516 429 −76 52 114 D CG 527 436 −68 57 114 D OD1 524 448 −64 60 114 D OD2 538 431 −64 63 114 D C 508 405 −80 49 114 D O 504 399 −70 47 115 S N 501 405 −91 48 115 S CA 490 396 −94 47 115 S CB 484 399 −107 47 115 S OG 475 410 −107 50 115 S C 494 382 −94 46 115 S O 488 373 −87 45 116 I N 505 379 −101 44 116 I CA 512 366 −101 43 116 I CB 524 366 −111 44 116 I CG1 519 366 −126 45 116 I CD1 530 369 −136 50 116 I CG2 533 354 −109 42 116 I C 515 362 −88 41 116 I O 512 350 −84 39 117 L N 521 371 −80 41 117 L CA 525 367 −66 41 117 L CB 533 379 −59 41 117 L CG 538 376 −45 47 117 L CD1 548 364 −45 51 117 L CD2 542 388 −36 48 117 L C 512 364 −57 39 117 L O 513 355 −49 39 118 A N 502 372 −59 39 118 A CA 489 369 −51 38 118 A CB 479 379 −54 38 118 A C 485 355 −54 37 118 A O 480 348 −45 37 119 V N 486 350 −67 36 119 V CA 481 337 −70 35 119 V CB 481 335 −86 35 119 V CG1 478 320 −89 36 119 V CG2 470 344 −92 36 119 V C 490 327 −63 34 119 V O 485 317 −58 32 120 R N 503 330 −64 34 120 R CA 513 321 −58 35 120 R CB 527 326 −60 36 120 R CG 532 322 −74 40 120 R CD 547 323 −77 45 120 R NE 549 323 −91 47 120 R CZ 557 330 −98 51 120 R NH1 565 339 −92 50 120 R NH2 558 329 −111 48 120 R C 510 319 −43 34 120 R O 511 308 −38 34 121 K N 508 330 −36 35 121 K CA 506 329 −22 35 121 K CB 505 343 −16 37 121 K CG 518 352 −15 40 121 K CD 515 366 −12 48 121 K CE 526 375 −7 56 121 K NZ 519 385 3 60 121 K C 493 322 −18 34 121 K O 492 315 −8 32 122 Y N 483 323 −27 32 122 Y CA 471 315 −25 32 122 Y CB 461 318 −36 31 122 Y CG 450 309 −38 32 122 Y CD1 450 300 −50 34 122 Y CE1 439 292 −52 34 122 Y CZ 428 291 −44 35 122 Y OH 418 282 −46 31 122 Y CE2 428 299 −32 32 122 Y CD2 439 308 −30 32 122 Y C 474 300 −25 30 122 Y O 470 292 −16 30 123 F N 482 295 −35 31 123 F CA 486 281 −35 31 123 F CB 492 278 −49 31 123 F CG 481 276 −59 32 123 F CD1 475 263 −61 35 123 F CE1 465 261 −71 33 123 F CZ 460 271 −78 37 123 F CE2 466 284 −77 37 123 F CD2 476 286 −67 32 123 F C 495 277 −23 33 123 F O 495 266 −19 32 124 Q N 503 287 −19 33 124 Q CA 511 284 −6 35 124 Q CB 520 296 −3 35 124 Q CG 532 297 −13 38 124 Q CD 541 309 −10 47 124 Q OE1 537 320 −10 51 124 Q NE2 553 305 −7 51 124 Q C 502 281 5 33 124 Q O 504 273 13 33 125 R N 491 289 6 33 125 R CA 482 286 18 32 125 R CB 471 297 19 32 125 R CG 477 311 21 37 125 R CD 466 322 24 35 125 R NE 458 326 13 35 125 R CZ 461 336 4 36 125 R NH1 474 341 5 36 125 R NH2 453 340 −5 35 125 R C 475 273 16 31 125 R O 473 266 26 31 126 I N 472 269 4 31 126 I CA 466 255 2 31 126 I CB 462 254 −13 31 126 I CG1 449 262 −15 33 126 I CD1 442 261 −29 35 126 I CG2 460 239 −16 29 126 I C 476 244 6 31 126 I O 472 235 13 32 127 T N 488 245 2 33 127 T CA 499 236 4 37 127 T CB 511 241 −3 38 127 T OG1 510 237 −17 42 127 T CG2 525 234 1 41 127 T C 502 235 19 36 127 T O 505 224 24 37 128 L N 502 246 26 38 128 L CA 504 246 41 37 128 L CB 505 261 46 38 128 L CG 509 261 61 43 128 L CD1 522 254 65 42 128 L CD2 509 276 65 42 128 L C 493 239 48 37 128 L O 494 231 58 36 129 Y N 481 242 43 36 129 Y CA 469 236 48 35 129 Y CB 456 242 41 35 129 Y CG 443 234 43 34 129 Y CD1 435 238 54 31 129 Y CE1 422 231 56 36 129 Y CZ 419 220 47 34 129 Y OH 407 214 49 33 129 Y CE2 428 216 37 33 129 Y CD2 440 223 35 31 129 Y C 470 221 47 35 129 Y O 467 214 57 36 130 L N 473 215 35 35 130 L CA 474 201 34 36 130 L CB 478 197 19 35 130 L CG 466 199 10 31 130 L CD1 471 199 −4 30 130 L CD2 455 188 11 31 130 L C 485 195 43 38 130 L O 484 184 49 38 131 K N 496 202 44 40 131 K CA 508 198 52 44 131 K CB 520 207 49 43 131 K CG 533 204 56 51 131 K CD 544 211 48 58 131 K CE 558 208 53 64 131 K NZ 568 213 43 67 131 K C 504 198 67 44 131 K O 506 188 74 45 132 E N 496 208 71 45 132 E CA 492 209 85 47 132 E CB 485 222 88 48 132 E CG 495 233 92 55 132 E CD 489 247 92 62 132 E OE1 477 249 89 67 132 E OE2 497 256 96 63 132 E C 482 197 88 47 132 E O 483 192 99 45 133 K N 474 194 78 45 133 K CA 463 184 80 45 133 K CB 451 187 71 44 133 K CG 444 200 74 44 133 K CD 432 198 85 48 133 K CE 425 211 88 48 133 K NZ 414 209 98 50 133 K C 468 170 77 45 133 K O 460 161 78 45 134 K N 481 169 74 46 134 K CA 487 156 71 48 134 K CB 488 147 83 49 134 K CG 497 152 95 54 134 K CD 491 148 108 62 134 K CE 499 154 120 68 134 K NZ 500 145 132 71 134 K C 481 149 59 47 134 K O 479 137 59 47 135 Y N 477 157 49 46 135 Y CA 471 152 37 44 135 Y CB 481 145 29 44 135 Y CG 492 154 25 44 135 Y CD1 503 155 34 47 135 Y CE1 514 164 31 48 135 Y CZ 513 172 20 47 135 Y OH 524 180 17 49 135 Y CE2 502 171 11 46 135 Y CD2 492 162 14 45 135 Y C 459 142 40 43 135 Y O 458 132 33 44 136 S N 451 145 49 43 136 S CA 440 137 52 43 136 S CB 433 141 65 43 136 S OG 425 153 63 46 136 S C 430 136 41 44 136 S O 429 146 32 43 137 P N 422 126 40 43 137 P CA 412 125 29 43 137 P CB 404 112 33 44 137 P CG 416 103 40 44 137 P CD 424 113 47 45 137 P C 403 137 30 42 137 P O 400 143 19 42 138 C N 398 141 42 41 138 C CA 391 154 43 42 138 C CB 386 156 58 42 138 C SG 371 147 61 49 138 C C 398 166 38 40 138 C O 391 174 31 38 139 A N 411 168 41 38 139 A CA 418 180 37 36 139 A CB 432 180 42 36 139 A C 418 180 21 36 139 A O 416 190 15 34 140 W N 421 168 15 35 140 W CA 421 168 1 35 140 W CB 426 154 −3 36 140 W CG 441 154 −6 35 140 W CD1 450 146 1 35 140 W NE1 463 148 −5 37 140 W CE2 462 157 −15 37 140 W CD2 448 162 −16 35 140 W CE3 445 171 −25 30 140 W CZ3 455 176 −33 33 140 W CH2 468 172 −32 36 140 W CZ2 472 163 −23 37 140 W C 407 170 −6 34 140 W O 407 177 −16 33 141 E N 397 166 1 33 141 E CA 383 169 −4 34 141 E CB 372 161 3 34 141 E CG 358 164 0 34 141 E CD 355 164 −16 35 141 E OE1 362 157 −23 34 141 E OE2 345 170 −20 36 141 E C 380 184 −4 34 141 E O 375 189 −13 32 142 V N 384 190 7 33 142 V CA 383 205 8 32 142 V CB 387 210 22 33 142 V CG1 390 225 21 31 142 V CG2 376 207 33 36 142 V C 391 212 −3 30 142 V O 386 221 −9 31 143 V N 403 207 −6 30 143 V CA 412 213 −16 29 143 V CB 426 208 −14 30 143 V CG1 435 212 −27 28 143 V CG2 433 214 −2 30 143 V C 406 211 −30 30 143 V O 405 219 −39 29 144 R N 401 199 −32 31 144 R CA 395 196 −46 30 144 R CB 391 181 −46 30 144 R CG 384 176 −60 30 144 R CD 376 163 −58 31 144 R NE 364 167 −50 34 144 R CZ 353 173 −55 34 144 R NH1 352 176 −68 36 144 R NH2 343 176 −47 35 144 R C 383 205 −49 29 144 R O 383 212 −59 29 145 A N 374 207 −40 29 145 A CA 363 215 −42 29 145 A CB 352 212 −31 30 145 A C 367 230 −43 30 145 A O 361 238 −51 30 146 E N 377 234 −35 29 146 E CA 382 248 −35 29 146 E CB 392 250 −24 31 146 E CG 401 262 −26 29 146 E CD 394 275 −24 33 146 E OE1 398 284 −30 29 146 E OE2 384 274 −16 34 146 E C 388 250 −49 30 146 E O 386 261 −55 31 147 I N 396 241 −54 29 147 I CA 402 243 −67 30 147 I CB 412 233 −70 30 147 I CG1 425 234 −61 29 147 I CD1 431 248 −63 31 147 I CG2 417 234 −85 30 147 I C 391 244 −78 31 147 I O 392 252 −87 33 148 M N 381 236 −77 31 148 M CA 371 237 −87 33 148 M CB 360 227 −86 33 148 M CG 365 213 −88 38 148 M SD 352 202 −84 49 148 M CE 341 205 −96 41 148 M C 364 251 −87 34 148 M O 361 256 −98 32 149 R N 361 256 −75 34 149 R CA 356 270 −74 36 149 R CB 353 273 −59 37 149 R CG 340 268 −54 45 149 R CD 336 273 −40 52 149 R NE 346 271 −29 58 149 R CZ 347 259 −22 59 149 R NH1 356 259 −13 58 149 R NH2 340 249 −25 59 149 R C 365 280 −79 36 149 R O 361 289 −87 36 150 S N 378 280 −75 36 150 S CA 387 291 −79 36 150 S CB 400 292 −72 35 150 S OG 406 279 −71 35 150 S C 390 290 −95 37 150 S O 391 300 −102 36 151 F N 392 278 −99 37 151 F CA 395 276 −113 38 151 F CB 400 262 −116 37 151 F CG 404 259 −130 41 151 F CD1 416 265 −136 43 151 F CE1 419 263 −149 45 151 F CZ 412 255 −157 43 151 F CE2 400 249 −152 44 151 F CD2 396 252 −139 42 151 F C 383 281 −122 40 151 F O 386 288 −132 40 152 S N 371 277 −119 42 152 S CA 359 282 −126 44 152 S CB 346 279 −120 45 152 S OG 345 266 −116 51 152 S C 359 297 −127 45 152 S O 356 303 −137 45 153 L N 362 303 −115 46 153 L CA 362 317 −113 47 153 L CB 364 322 −99 47 153 L CG 352 322 −89 47 153 L CD1 358 323 −75 50 153 L CD2 343 333 −92 50 153 L C 372 324 −122 48 153 L O 371 335 −126 48 154 S N 384 317 −124 47 154 S CA 395 323 −130 49 154 S CB 408 317 −126 47 154 S OG 409 304 −131 51 154 S C 393 322 −146 50 154 S O 400 329 −153 50 155 T N 384 314 −150 52 155 T CA 381 312 −164 55 155 T CB 382 297 −168 54 155 T OG1 376 288 −158 51 155 T CG2 397 292 −168 52 155 T C 367 318 −168 58 155 T O 366 323 −179 59 156 N N 357 317 −160 62 156 N CA 345 324 −162 65 156 N CB 333 314 −160 66 156 N CG 336 300 −165 69 156 N OD1 344 298 −175 73 156 N ND2 331 290 −158 70 156 N C 343 336 −152 67 156 N O 337 335 −141 68 156 N OXT 347 347 −154 69 6 T N 734 415 126 71 6 T CA 732 428 118 72 6 T CB 730 425 103 72 6 T OG1 743 422 97 72 6 T CG2 726 438 95 73 6 T C 720 436 124 71 6 T O 708 434 120 71 7 H N 724 446 132 69 7 H CA 714 456 138 68 7 H CB 722 467 145 68 7 H CG 725 464 160 70 7 H ND1 734 455 163 71 7 H CE1 735 454 176 73 7 H NE2 725 462 181 75 7 H CD2 719 468 171 74 7 H C 705 462 127 66 7 H O 709 465 116 66 8 S N 692 463 131 63 8 S CA 683 469 122 59 8 S CB 668 465 126 59 8 S OG 666 467 140 59 8 S C 684 484 122 57 8 S O 688 490 133 57 9 L N 681 491 111 53 9 L CA 680 505 111 50 9 L CB 675 511 97 51 9 L CG 670 525 96 51 9 L CD1 681 535 98 49 9 L CD2 663 529 83 53 9 L C 671 510 123 48 9 L O 674 520 129 46 10 G N 661 502 126 45 10 G CA 651 504 136 42 10 G C 657 505 150 39 10 G O 655 515 157 40 11 S N 665 495 153 39 11 S CA 671 495 166 39 11 S CB 678 481 170 39 11 S OG 689 479 161 43 11 S C 681 507 168 37 11 S O 680 513 179 36 12 R N 689 510 158 37 12 R CA 697 521 158 37 12 R CB 707 523 146 39 12 R CG 711 509 140 45 12 R CD 723 510 129 53 12 R NE 734 509 137 56 12 R CZ 742 499 138 56 12 R NH1 743 489 130 56 12 R NH2 750 500 149 54 12 R C 690 534 160 35 12 R O 694 543 168 34 13 R N 680 536 152 34 13 R CA 672 549 153 35 13 R CB 662 550 141 36 13 R CG 668 553 128 42 13 R CD 657 556 117 47 13 R NE 648 566 122 50 13 R CZ 649 579 121 53 13 R NH1 639 587 125 55 13 R NH2 660 584 116 54 13 R C 665 550 166 34 13 R O 663 560 171 34 14 T N 661 538 172 33 14 T CA 654 539 185 31 14 T CB 650 525 189 32 14 T OG1 640 520 180 32 14 T CG2 645 524 204 31 14 T C 664 545 195 30 14 T O 660 553 203 30 15 L N 676 540 195 30 15 L CA 686 545 204 32 15 L CB 699 537 205 32 15 L CG 698 523 211 34 15 L CC1 710 515 207 35 15 L CC2 696 525 227 33 15 L C 690 560 201 32 15 L O 692 568 211 33 16 M N 690 563 189 34 16 M CA 693 578 185 35 16 M CB 694 579 169 34 16 M CG 697 593 164 38 16 M SD 682 602 160 47 16 M CE 676 594 146 43 16 M C 682 587 190 35 16 M O 685 598 196 34 17 L N 670 583 189 36 17 L CA 659 591 193 35 17 L CB 646 585 188 35 17 L CG 644 587 173 38 17 L CD1 634 577 167 34 17 L CD2 639 602 170 38 17 L C 658 592 209 35 17 L O 656 603 214 36 18 L N 660 581 216 34 18 L CA 662 582 231 34 18 L CB 664 568 236 32 18 L CG 652 559 238 34 18 L CD1 655 545 240 33 18 L CD2 643 565 250 32 18 L C 673 592 235 32 18 L O 672 599 244 32 19 A N 684 591 228 32 19 A CA 695 601 230 33 19 A CB 708 597 222 31 19 A C 691 615 229 34 19 A O 694 624 237 35 20 Q N 684 618 217 36 20 Q CA 680 632 214 37 20 Q CB 676 632 199 38 20 Q CG 687 629 189 39 20 Q CD 698 640 188 45 20 Q OE1 702 644 177 47 20 Q NE2 702 645 200 43 20 Q C 668 636 222 39 20 Q O 666 648 224 39 21 M N 661 627 229 38 21 M CA 651 631 239 39 21 M CB 642 620 242 39 21 M CG 632 616 232 41 21 M SD 623 601 238 50 21 M CE 623 594 225 35 21 M C 657 637 252 41 21 M O 649 643 259 39 22 R N 669 633 256 42 22 R CA 674 637 269 42 22 R CB 689 633 270 42 22 R CG 694 635 284 41 22 R CD 706 628 288 43 22 R NE 718 633 281 46 22 R CZ 730 635 287 51 22 R NH1 740 640 280 47 22 R NH2 732 631 300 49 22 R C 673 652 271 44 22 R O 676 659 262 43 23 R N 669 656 283 45 23 R CA 668 670 286 48 23 R CB 653 674 290 48 23 R CG 643 673 279 51 23 R CD 629 677 284 58 23 R NE 621 680 272 65 23 R CZ 608 684 274 70 23 R NH1 601 686 263 69 23 R NH2 603 687 286 70 23 R C 677 675 298 49 23 R O 681 686 298 50 24 I N 679 665 307 49 24 I CA 688 668 318 50 24 I CB 680 671 331 49 24 I CG1 672 659 336 47 24 I CD1 665 661 349 49 24 I CG2 672 684 330 50 24 I C 698 657 320 51 24 I O 696 646 315 50 25 S N 709 660 328 52 25 S CA 719 651 331 55 25 S CB 732 658 334 55 25 S OG 741 649 340 59 25 S C 715 642 343 56 25 S O 708 646 353 55 26 L N 720 629 343 59 26 L CA 718 620 354 62 26 L CB 723 606 350 62 26 L CG 716 593 355 64 26 L CD1 701 595 358 64 26 L CD2 718 581 346 64 26 L C 726 625 366 65 26 L O 723 621 378 65 27 F N 735 634 364 67 27 F CA 744 638 375 69 27 F CB 757 645 370 70 27 F CG 767 636 365 75 27 F CD1 769 634 351 78 27 F CE1 779 625 346 80 27 F CZ 787 617 355 82 27 F CE2 785 619 369 81 27 F CD2 775 628 374 79 27 F C 736 648 385 69 27 F O 740 648 396 68 28 S N 726 654 380 68 28 S CA 717 662 388 68 28 S CB 708 672 380 68 28 S OG 716 679 371 71 28 S C 708 654 397 66 28 S O 700 659 405 67 29 C N 708 641 395 65 29 C CA 697 632 400 62 29 C CB 688 628 387 61 29 C SG 682 642 378 59 29 C C 701 620 408 61 29 C O 694 610 408 60 30 A N 711 622 416 61 30 A CA 718 611 424 60 30 A CB 730 616 431 61 30 A C 708 604 433 59 30 A O 709 592 435 59 31 K N 700 612 440 58 31 K CA 690 607 450 58 31 K CB 683 619 456 59 31 K CG 678 630 445 61 31 K CD 671 642 451 65 31 K CE 660 647 442 67 31 K NZ 665 652 428 65 31 K C 680 598 443 57 31 K O 674 589 450 56 32 D N 678 599 430 54 32 D CA 668 591 423 52 32 D CB 660 600 414 53 32 D CG 654 612 421 54 32 D OD1 646 609 430 54 32 D OD2 657 623 417 55 32 D C 673 579 415 51 32 D O 665 572 409 50 33 A N 686 577 415 49 33 A CA 692 565 409 48 33 A CB 708 565 412 48 33 A C 685 552 413 47 33 A O 681 551 425 47 34 H N 684 542 405 46 34 H CA 676 531 409 44 34 H CB 661 534 407 45 34 H CG 652 525 414 47 34 H ND1 646 514 408 47 34 H CE1 638 508 417 48 34 H NE2 639 514 428 53 34 H CD2 647 525 427 48 34 H C 679 519 400 43 34 H O 681 520 388 43 35 D N 680 507 406 39 35 D CA 682 494 400 38 35 D CB 693 486 407 36 35 D CG 697 474 399 36 35 D OD1 708 468 403 37 35 D OD2 691 469 390 34 35 D C 669 487 398 37 35 D O 662 483 408 35 36 F N 664 486 385 36 36 F CA 651 480 382 33 36 F CB 645 486 370 33 36 F CG 642 501 371 33 36 F CD1 652 510 368 36 36 F CE1 649 524 370 35 36 F CZ 637 528 375 35 36 F CE2 628 519 379 35 36 F CD2 631 505 377 34 36 F C 652 465 380 33 36 F O 642 459 376 33 37 G N 664 459 382 34 37 G CA 665 445 380 34 37 G C 661 440 366 34 37 G O 654 430 365 34 38 F N 667 446 356 34 38 F CA 663 442 342 32 38 F CB 671 451 332 32 38 F CG 669 447 318 32 38 F CD1 656 447 312 29 38 F CE1 654 443 299 31 38 F CZ 665 439 291 33 38 F CE2 677 438 296 33 38 F CD2 680 442 310 33 38 F C 667 428 340 34 38 F O 678 424 343 32 39 P N 658 419 336 33 39 P CA 661 405 334 34 39 P CB 648 398 334 34 39 P CG 639 409 327 34 39 P CD 644 422 334 33 39 P C 670 402 321 35 39 P O 665 395 312 37 40 Q N 682 406 321 37 40 Q CA 690 405 309 38 40 Q CB 703 412 311 38 40 Q CG 712 407 323 40 40 Q CD 725 415 323 46 40 Q OE1 725 426 327 44 40 Q NE2 736 409 317 48 40 Q C 693 390 305 40 40 Q O 695 387 293 40 41 E N 693 381 315 40 41 E CA 695 367 312 40 41 E CB 695 359 326 41 41 E CG 682 356 332 39 41 E CD 677 368 340 35 41 E OE1 684 378 341 35 41 E OE2 665 367 345 35 41 E C 684 361 302 41 41 E O 687 351 296 41 42 E N 673 367 301 42 42 E CA 662 363 292 44 42 E CB 649 369 295 45 42 E CG 644 368 309 49 42 E CD 643 354 315 53 42 E OE1 637 345 308 56 42 E OE2 649 351 325 62 42 E C 666 365 277 45 42 E O 659 360 268 46 43 F N 677 372 275 48 43 F CA 680 377 261 51 43 F CB 681 392 261 50 43 F CG 668 399 262 48 43 F CD1 664 403 275 47 43 F CE1 651 409 277 45 43 F CZ 643 411 265 41 43 F CE2 648 407 252 43 43 F CD2 660 401 251 46 43 F C 694 371 257 54 43 F O 698 372 246 54 44 G N 700 364 267 57 44 G CA 714 359 265 60 44 G C 716 345 260 63 44 G O 706 339 255 63 45 A N 728 340 262 65 45 A CA 733 328 256 67 45 A CB 749 329 256 67 45 A C 729 315 261 69 45 A O 733 304 256 69 46 Q N 720 315 272 70 46 Q CA 713 303 276 72 46 Q CB 706 305 289 72 46 Q CG 714 300 301 72 46 Q CD 708 304 315 72 46 Q OE1 715 303 325 70 46 Q NE2 696 309 314 73 46 Q C 703 299 265 73 46 Q O 699 287 264 73 47 F N 699 309 258 73 47 F CA 688 308 248 74 47 F CB 678 319 251 74 47 F CG 672 318 265 74 47 F CD1 678 326 275 72 47 F CE1 673 325 288 73 47 F CZ 663 316 291 73 47 F CE2 657 308 281 75 47 F CD2 662 309 268 75 47 F C 693 309 233 74 47 F O 704 315 230 74 48 A N 685 303 224 74 48 A CA 687 304 210 74 48 A CB 682 291 203 74 48 A C 681 317 205 74 48 A O 671 322 211 74 49 A N 686 322 193 74 49 A CA 682 335 187 73 49 A CB 691 338 175 74 49 A C 667 336 184 72 49 A O 662 347 185 73 50 A N 661 325 180 70 50 A CA 646 325 177 67 50 A CB 643 314 167 68 50 A C 638 322 190 66 50 A O 626 324 189 65 51 E N 644 319 201 63 51 E CA 637 317 213 60 51 E CB 644 307 222 61 51 E CG 639 293 220 65 51 E CD 646 283 230 71 51 E OE1 639 275 235 73 51 E OE2 659 285 232 72 51 E C 635 330 220 57 51 E O 626 332 229 57 52 T N 643 340 217 53 52 T CA 642 353 224 50 52 T CB 656 359 226 50 52 T OG1 662 363 214 50 52 T CG2 666 349 232 51 52 T C 634 363 216 47 52 T O 631 374 221 46 53 I N 629 359 204 43 53 I CA 621 368 196 42 53 I CB 617 362 182 42 53 I CG1 629 361 173 45 53 I CD1 640 371 173 50 53 I CG2 605 370 175 42 53 I C 609 373 204 40 53 I O 607 385 205 38 54 P N 601 364 211 39 54 P CA 589 369 219 39 54 P CB 584 355 225 39 54 P CG 588 345 215 40 54 P CD 602 350 210 40 54 P C 592 379 230 37 54 P O 584 387 233 35 55 V N 604 377 236 37 55 V CA 608 385 247 35 55 V CB 620 378 255 37 55 V CG1 621 383 268 38 55 V CG2 616 363 257 36 55 V C 612 398 242 34 55 V O 609 408 248 33 56 L N 620 398 231 32 56 L CA 624 411 225 32 56 L CB 634 410 214 32 56 L CG 638 423 207 37 56 L CD1 646 433 216 37 56 L CD2 646 420 194 37 56 L C 611 419 220 31 56 L O 610 431 222 31 57 H N 602 412 213 30 57 H CA 590 417 209 30 57 H CB 581 407 201 30 57 H CG 568 412 196 29 57 H ND1 557 411 204 31 57 H CE1 546 416 197 32 57 H NE2 550 418 185 32 57 H CD2 563 416 184 34 57 H C 582 424 221 31 57 H O 578 435 220 31 58 E N 581 416 232 30 58 E CA 575 422 244 31 58 E CB 574 412 255 31 58 E CG 566 417 267 30 58 E CD 551 417 264 36 58 E OE1 544 426 271 38 58 E OE2 545 409 257 35 58 E C 582 434 249 31 58 E O 575 444 252 28 59 M N 595 434 249 31 59 M CA 603 446 253 32 59 M CB 618 443 251 32 59 M CG 627 454 254 41 59 M SD 630 453 271 48 59 M CE 643 467 273 38 59 M C 599 459 244 30 59 M O 597 469 250 27 60 I N 598 457 231 29 60 I CA 595 468 222 30 60 I CB 599 464 207 31 60 I CG1 614 463 206 32 60 I CD1 619 456 194 35 60 I CG2 594 476 197 30 60 I C 581 473 225 29 60 I O 578 485 226 30 61 Q N 571 464 225 28 61 Q CA 558 468 228 29 61 Q CB 548 456 229 27 61 Q CG 533 459 234 31 61 Q CD 524 466 224 33 61 Q OE1 517 476 227 38 61 Q NE2 526 462 211 28 61 Q C 557 476 242 31 61 Q O 550 486 243 29 62 Q N 564 470 252 30 62 Q CA 565 478 265 29 62 Q CB 571 469 276 29 62 Q CG 563 456 279 31 62 Q CD 549 459 284 33 62 Q OE1 547 470 291 35 62 Q NE2 539 451 282 31 62 Q C 571 491 264 28 62 Q O 566 500 272 29 63 I N 581 493 256 28 63 I CA 587 506 255 28 63 I CB 600 504 246 29 63 I CG1 611 499 254 28 63 I CD1 624 494 245 29 63 I CG2 604 518 241 26 63 I C 577 515 249 30 63 I O 575 527 253 29 64 F N 570 510 238 29 64 F CA 559 518 232 32 64 F CB 553 511 220 30 64 F CG 539 518 216 33 64 F CD1 539 529 208 35 64 F CE1 527 535 205 38 64 F CZ 515 530 210 31 64 F CE2 515 519 219 34 64 F CD2 528 513 222 33 64 F C 548 522 243 31 64 F O 545 534 243 32 65 N N 544 513 251 31 65 N CA 534 516 262 33 65 N CB 531 503 270 34 65 N CG 525 491 263 35 65 N OD1 525 479 268 36 65 N ND2 519 493 251 32 65 N C 539 526 271 34 65 N O 532 536 275 33 66 L N 552 525 275 32 66 L CA 557 535 285 32 66 L CB 571 530 289 31 66 L CG 580 539 298 35 66 L CD1 574 540 312 31 66 L CD2 594 533 299 30 66 L C 558 549 279 32 66 L O 556 559 287 32 67 F N 562 550 266 32 67 F CA 564 563 260 33 67 F CB 577 563 251 32 67 F CG 590 562 259 33 67 F CD1 595 550 263 29 67 F CE1 607 550 271 31 67 F CZ 613 562 275 37 67 F CE2 608 574 271 37 67 F CD2 596 574 263 34 67 F C 552 569 253 34 67 F O 553 580 248 35 68 S N 541 562 253 35 68 S CA 529 567 246 37 68 S CB 524 556 237 35 68 S OG 518 545 244 36 68 S C 518 571 256 38 68 S O 506 573 251 39 69 T N 521 572 269 40 69 T CA 511 577 279 41 69 T CB 515 573 293 41 69 T OG1 527 580 297 41 69 T CG2 517 558 295 41 69 T C 510 592 278 43 69 T O 519 599 272 43 70 A N 500 597 285 44 70 A CA 499 612 286 44 70 A CB 485 616 292 46 70 A C 510 617 295 43 70 A O 516 628 292 44 71 D N 515 610 305 43 71 D CA 526 614 313 42 71 D CB 528 604 324 42 71 D CG 516 601 332 47 71 D OD1 514 610 341 49 71 D OD2 508 592 330 50 71 D C 539 615 304 41 71 D O 546 625 305 41 72 S N 541 606 295 40 72 S CA 552 607 286 39 72 S CB 554 594 278 37 72 S OG 564 596 268 38 72 S C 551 619 276 40 72 S O 561 626 274 39 73 S N 539 621 271 42 73 S CA 537 633 263 44 73 S CB 522 633 258 45 73 S OG 520 622 250 50 73 S C 540 646 270 44 73 S O 544 655 264 45 74 A N 538 646 284 46 74 A CA 542 658 291 46 74 A CB 535 658 305 46 74 A C 558 660 293 47 74 A O 563 671 295 47 75 A N 565 649 292 46 75 A CA 579 648 296 44 75 A CB 581 635 303 44 75 A C 588 650 285 43 75 A O 600 655 287 44 76 W N 584 646 273 41 76 W CA 593 645 261 40 76 W CB 597 631 257 39 76 W CG 600 622 268 34 76 W CD1 593 612 274 35 76 W NE1 599 607 285 34 76 W CE2 611 613 286 34 76 W CD2 612 623 275 33 76 W CE3 624 631 274 33 76 W CZ3 634 630 284 33 76 W CH2 633 620 294 33 76 W CZ2 622 612 295 30 76 W C 588 653 249 42 76 W O 576 653 247 43 77 D N 597 657 241 43 77 D CA 593 663 228 45 77 D CB 607 666 221 46 77 D CG 605 674 208 50 77 D OD1 604 668 197 56 77 D OD2 605 686 208 55 77 D C 584 655 219 47 77 D O 586 644 216 45 78 E N 573 662 215 47 78 E CA 563 656 206 49 78 E CB 552 667 203 50 78 E CG 539 663 197 56 78 E CD 530 674 193 62 78 E OE1 521 672 184 66 78 E OE2 531 686 198 63 78 E C 567 650 193 49 78 E O 562 639 189 49 79 T N 576 657 186 48 79 T CA 581 652 173 48 79 T CB 589 664 166 49 79 T OG1 580 675 166 53 79 T CG2 592 661 152 51 79 T C 590 640 175 47 79 T O 589 630 167 46 80 L N 599 640 185 45 80 L CA 608 629 187 43 80 L CB 618 632 198 43 80 L CG 628 642 194 42 80 L CD1 638 646 205 42 80 L CD2 636 638 181 45 80 L C 599 617 191 41 80 L O 601 606 185 40 81 L N 589 619 200 39 81 L CA 580 608 203 39 81 L CB 570 612 214 39 81 L CG 575 613 228 39 81 L CD1 564 619 237 39 81 L CD2 581 600 234 38 81 L C 573 602 191 40 81 L O 572 589 190 39 82 D N 568 610 182 40 82 D CA 561 605 171 40 82 D CB 554 616 163 42 82 D CG 548 612 150 45 82 D OD1 554 616 139 53 82 D OD2 539 604 149 49 82 D C 571 597 162 39 82 D O 568 586 157 39 83 K N 583 602 160 37 83 K CA 594 595 152 38 83 K CB 606 604 152 38 83 K CG 608 612 138 45 83 K CD 619 622 139 44 83 K CE 615 634 130 50 83 K NZ 612 631 116 55 83 K C 597 582 159 36 83 K O 599 571 153 36 84 F N 597 582 172 36 84 F CA 601 570 181 34 84 F CB 601 575 195 33 84 F CG 607 565 205 34 84 F CD1 620 560 204 31 84 F CE1 625 551 214 31 84 F CZ 617 548 225 29 84 F CE2 604 553 226 32 84 F CD2 599 562 216 34 84 F C 590 560 179 35 84 F O 593 548 175 35 85 Y N 577 563 180 35 85 Y CA 567 553 178 37 85 Y CB 553 558 179 38 85 Y CG 550 566 191 37 85 Y CD1 557 564 203 37 85 Y CE1 554 571 214 36 85 Y CZ 545 582 214 37 85 Y OH 542 589 225 36 85 Y CE2 538 585 202 41 85 Y CD2 541 577 190 39 85 Y C 568 545 165 37 85 Y O 566 533 164 37 86 T N 572 552 154 38 86 T CA 573 547 141 38 86 T CB 576 558 131 40 86 T OG1 563 565 128 42 86 T CG2 580 553 117 41 86 T C 583 536 141 37 86 T O 581 525 135 36 87 E N 595 539 147 35 87 E CA 606 529 148 35 87 E CB 618 535 154 34 87 E CG 626 546 146 38 87 E CD 627 542 131 42 87 E OE1 631 531 128 41 87 E OE2 625 551 123 43 87 E C 601 517 156 34 87 E O 604 506 152 34 88 L N 593 519 166 34 88 L CA 588 508 175 33 88 L CB 582 513 188 32 88 L CG 591 522 196 32 88 L CD1 584 527 208 29 88 L CD2 605 514 201 31 88 L C 578 499 166 33 88 L O 580 487 167 33 89 Y N 569 506 159 34 89 Y CA 559 498 151 34 89 Y CB 549 506 143 35 89 Y CG 541 516 151 32 89 Y CD1 536 513 164 37 89 Y CE1 529 523 171 38 89 Y CZ 527 535 166 37 89 Y OH 520 545 173 37 89 Y CE2 531 539 153 36 89 Y CD2 538 529 146 35 89 Y C 566 489 141 34 89 Y O 563 477 139 34 90 Q N 576 495 134 34 90 Q CA 584 488 124 36 90 Q CB 593 497 116 38 90 Q CG 602 490 106 44 90 Q CD 593 486 93 50 90 Q OE1 587 495 87 54 90 Q NE2 592 473 90 53 90 Q C 591 476 130 36 90 Q O 591 465 124 36 91 Q N 597 477 142 35 91 Q CA 605 466 147 35 91 Q CB 613 470 159 36 91 Q CG 625 477 155 35 91 Q CD 632 485 166 39 91 Q OE1 641 479 172 37 91 Q NE2 627 497 169 33 91 Q C 595 455 152 34 91 Q O 598 443 149 34 92 L N 584 459 157 34 92 L CA 574 449 161 34 92 L CB 562 455 167 33 92 L CG 565 461 181 36 92 L CD1 553 470 186 34 92 L CD2 568 450 192 34 92 L C 569 441 148 36 92 L O 567 428 149 35 93 N N 565 448 138 37 93 N CA 561 442 125 39 93 N CB 559 453 115 40 93 N CG 550 449 103 45 93 N OD1 553 440 96 47 93 N ND2 539 456 102 46 93 N C 572 432 120 39 93 N O 569 421 116 38 94 D N 585 437 120 39 94 D CA 595 428 115 42 94 D CB 609 435 114 41 94 D CG 608 445 103 46 94 D OD1 599 445 94 51 94 D OD2 617 454 102 48 94 D C 597 415 124 42 94 D O 599 404 118 42 95 L N 596 417 137 42 95 L CA 596 405 146 42 95 L CB 598 409 161 41 95 L CG 611 416 164 42 95 L CD1 610 422 178 41 95 L CD2 623 407 163 40 95 L C 585 395 144 43 95 L O 586 383 145 44 96 E N 573 400 141 45 96 E CA 561 392 138 47 96 E CB 548 400 139 46 96 E CG 545 405 152 45 96 E CD 534 416 153 42 96 E OE1 525 416 144 39 96 E OE2 534 424 163 42 96 E C 562 384 125 49 96 E O 557 373 124 49 97 A N 570 389 116 54 97 A CA 572 383 102 58 97 A CB 582 392 94 58 97 A C 576 368 102 61 97 A O 572 361 92 62 98 A N 584 364 111 64 98 A CA 588 349 111 66 98 A CB 601 347 119 67 98 A C 577 340 116 67 98 A O 575 329 109 68 99 A N 571 343 127 67 99 A CA 559 335 132 68 99 A CB 555 339 147 68 99 A C 547 335 123 68 99 A O 543 345 118 68 111 M N 556 277 256 68 111 M CA 569 282 251 68 111 M CB 568 289 237 69 111 M CG 557 299 235 72 111 M SD 561 314 225 80 111 M CE 560 327 237 76 111 M C 576 291 261 67 111 M O 584 286 270 68 112 K N 574 304 261 64 112 K CA 581 315 268 61 112 K CB 590 323 258 62 112 K CG 601 316 251 65 112 K CD 612 312 261 68 112 K CE 626 311 254 71 112 K NZ 634 301 262 73 112 K C 573 324 277 57 112 K O 576 336 278 57 113 A N 562 319 282 54 113 A CA 552 328 289 50 113 A CB 541 320 294 51 113 A C 559 335 301 49 113 A O 556 347 303 46 114 D N 567 328 308 48 114 D CA 573 333 321 47 114 D CB 579 322 329 49 114 D CG 569 313 336 52 114 D OD1 572 301 337 58 114 D OD2 558 317 340 56 114 D C 583 343 317 44 114 D O 584 353 324 44 115 S N 590 342 306 42 115 S CA 600 352 302 42 115 S CB 610 347 292 42 115 S OG 617 336 297 48 115 S C 593 365 297 41 115 S O 598 375 300 40 116 I N 582 363 289 39 116 I CA 574 375 285 39 116 I CB 562 370 276 39 116 I CG1 568 366 262 40 116 I CD1 557 359 253 42 116 I CG2 551 381 275 40 116 I C 569 383 297 38 116 I O 570 395 298 38 117 L N 564 375 307 38 117 L CA 559 381 319 38 117 L CB 554 369 328 41 117 L CG 539 368 327 45 117 L CD1 534 353 326 52 117 L CD2 534 375 340 55 117 L C 570 388 327 37 117 L O 568 398 334 38 118 A N 582 383 327 37 118 A CA 593 390 335 36 118 A CB 605 381 334 34 118 A C 596 403 329 34 118 A O 599 413 336 34 119 V N 595 404 316 35 119 V CA 597 417 308 34 119 V CB 597 415 293 35 119 V CG1 596 429 286 35 119 V CG2 611 408 289 36 119 V C 586 426 313 34 119 V O 589 438 316 34 120 R N 574 422 313 35 120 R CA 563 430 317 37 120 R CB 549 423 317 36 120 R CG 544 422 304 41 120 R CD 529 417 302 41 120 R NE 527 412 289 40 120 R CZ 521 401 285 43 120 R NH1 514 394 294 42 120 R NH2 521 398 272 41 120 R C 565 436 331 36 120 R O 562 447 334 38 121 K N 570 427 340 36 121 K CA 571 430 354 36 121 K CB 574 418 362 36 121 K CG 561 411 366 41 121 K CD 564 398 375 50 121 K CE 552 391 378 53 121 K NZ 554 376 375 59 121 K C 582 441 356 34 121 K O 581 450 363 34 122 Y N 593 440 348 33 122 Y CA 603 450 348 32 122 Y CB 614 446 337 31 122 Y CG 623 457 332 30 122 Y CD1 622 462 319 31 122 Y CE1 632 472 315 30 122 Y CZ 641 476 323 32 122 Y OH 650 486 318 30 122 Y CE2 642 472 337 29 122 Y CD2 633 462 341 29 122 Y C 597 464 344 31 122 Y O 600 474 350 31 123 F N 589 464 334 32 123 F CA 582 477 330 31 123 F CB 576 476 316 31 123 F CG 586 478 305 31 123 F CD1 589 491 300 27 123 F CE1 599 492 290 28 123 F CZ 606 481 285 30 123 F CE2 603 468 290 27 123 F CD2 593 467 300 28 123 F C 572 481 341 32 123 F O 570 493 343 31 124 Q N 565 472 348 33 124 Q CA 557 476 359 36 124 Q CB 549 463 365 37 124 Q CG 538 459 355 42 124 Q CD 532 445 358 48 124 Q OE1 536 438 367 45 124 Q NE2 524 440 348 49 124 Q C 565 482 371 36 124 Q O 561 492 377 36 125 R N 577 477 373 35 125 R CA 586 483 382 35 125 R CB 599 476 384 34 125 R CG 596 462 392 34 125 R CD 608 455 396 32 125 R NE 617 450 386 32 125 R CZ 616 438 379 32 125 R NH1 605 431 381 32 125 R NH2 625 435 370 32 125 R C 590 497 377 36 125 R O 590 507 385 36 126 I N 593 499 364 34 126 I CA 595 513 359 34 126 I CB 600 513 345 33 126 I CG1 614 506 343 34 126 I CD1 617 502 330 31 126 I CG2 599 527 338 31 126 I C 583 522 362 36 126 I O 585 533 366 37 127 T N 572 517 358 38 127 T CA 559 525 360 41 127 T CB 548 518 353 40 127 T OG1 549 521 339 44 127 T CG2 534 523 357 43 127 T C 556 529 375 42 127 T O 553 540 378 43 128 L N 558 519 383 43 128 L CA 556 521 398 45 128 L CB 559 508 405 47 128 L CG 551 504 417 53 128 L CD1 539 513 422 56 128 L CD2 546 489 415 57 128 L C 566 532 403 45 128 L O 562 541 410 45 129 Y N 579 530 400 42 129 Y CA 589 541 402 41 129 Y CB 602 537 395 39 129 Y CG 613 548 395 37 129 Y CD1 622 549 406 39 129 Y CE1 631 558 407 38 129 Y CZ 633 567 396 38 129 Y OH 643 576 397 39 129 Y CE2 625 566 384 39 129 Y CD2 615 557 384 37 129 Y C 585 555 398 41 129 Y O 585 564 406 40 130 L N 581 556 385 40 130 L CA 576 569 380 41 130 L CB 572 569 365 38 130 L CG 583 569 355 39 130 L CD1 579 565 341 33 130 L CD2 591 583 353 36 130 L C 564 575 389 43 130 L O 563 588 391 44 131 K N 555 566 393 45 131 K CA 544 570 401 48 131 K CB 534 559 403 48 131 K CG 524 557 392 50 131 K CD 519 543 390 56 131 K CE 508 541 380 58 131 K NZ 502 527 380 59 131 K C 549 575 415 48 131 K O 545 585 420 50 132 E N 558 567 421 50 132 E CA 563 571 434 51 132 E CB 573 560 440 53 132 E CG 565 548 446 58 132 E CD 575 536 449 67 132 E OE1 587 537 446 71 132 E OE2 570 526 455 71 132 E C 570 584 434 51 132 E O 569 592 444 51 133 K N 576 587 423 50 133 K CA 584 600 421 49 133 K CB 597 597 413 48 133 K CG 606 587 419 49 133 K CD 617 593 427 55 133 K CE 625 583 434 55 133 K NZ 634 590 444 56 133 K C 576 611 415 48 133 K O 582 622 412 48 134 K N 563 609 413 48 134 K CA 554 618 406 49 134 K CB 550 630 416 51 134 K CG 544 624 430 56 134 K CD 541 635 440 64 134 K CE 537 649 434 69 134 K NZ 529 657 443 74 134 K C 560 623 393 48 134 K O 558 635 390 48 135 Y N 566 615 385 47 135 Y CA 570 619 372 46 135 Y CB 558 621 363 46 135 Y CG 549 609 362 47 135 Y CD1 539 607 371 49 135 Y CE1 530 596 371 50 135 Y CZ 533 586 361 50 135 Y OH 525 575 361 54 135 Y CE2 543 588 352 48 135 Y CD2 551 599 352 45 135 Y C 579 631 372 44 135 Y O 578 639 363 44 136 S N 588 633 382 44 136 S CA 597 644 382 45 136 S CB 606 643 395 45 136 S OG 614 631 396 46 136 S C 606 643 369 45 136 S O 608 632 364 46 137 P N 611 654 364 45 137 P CA 622 653 354 45 137 P CB 627 668 353 45 137 P CG 614 676 356 45 137 P CD 607 668 367 45 137 P C 633 644 357 45 137 P O 638 636 348 44 138 C N 637 643 370 43 138 C CA 648 634 374 44 138 C CB 652 637 388 46 138 C SG 665 650 388 51 138 C C 644 620 372 42 138 C O 652 612 367 40 139 A N 632 616 377 39 139 A CA 627 602 376 39 139 A CB 613 601 382 39 139 A C 627 599 361 37 139 A O 630 587 358 37 140 W N 622 608 353 35 140 W CA 620 605 339 36 140 W CB 613 616 332 35 140 W CG 598 612 330 38 140 W CD1 587 619 335 39 140 W NE1 575 613 330 37 140 W CE2 578 602 322 38 140 W CD2 593 601 322 37 140 W CE3 599 591 315 32 140 W CZ3 590 582 307 33 140 W CH2 576 583 308 38 140 W CZ2 570 593 315 38 140 W C 634 603 333 36 140 W O 636 596 323 35 141 E N 644 611 337 36 141 E CA 657 610 331 36 141 E CB 667 622 334 37 141 E CG 682 619 331 36 141 E CD 684 616 316 37 141 E OE1 675 618 307 36 141 E OE2 695 612 312 36 141 E C 664 596 335 35 141 E O 670 590 327 34 142 V N 661 592 348 35 142 V CA 665 579 352 35 142 V CB 662 576 367 35 142 V CG1 664 562 371 33 142 V CG2 671 585 377 35 142 V C 660 568 343 34 142 V O 666 559 339 35 143 V N 647 569 341 32 143 V CA 640 559 332 31 143 V CB 625 561 333 30 143 V CG1 617 553 322 31 143 V CG2 619 557 347 32 143 V C 645 559 318 31 143 V O 648 549 312 29 144 R N 647 571 313 31 144 R CA 651 572 299 32 144 R CB 651 586 294 32 144 R CG 655 588 278 32 144 R CD 662 602 275 31 144 R NE 674 602 283 33 144 R CZ 686 596 280 35 144 R NH1 686 589 268 33 144 R NH2 696 596 288 37 144 R C 665 566 297 32 144 R O 668 558 287 33 145 A N 675 569 306 31 145 A CA 688 563 306 31 145 A CB 697 569 317 30 145 A C 687 548 308 30 145 A O 694 540 302 31 146 E N 678 544 317 29 146 E CA 676 530 320 29 146 E CB 666 528 331 29 146 E CG 660 513 333 31 146 E CD 671 503 336 34 146 E OE1 670 490 333 28 146 E OE2 681 507 343 33 146 E C 672 522 307 29 146 E O 677 512 304 29 147 I N 662 527 299 27 147 I CA 657 520 287 28 147 I CB 644 528 282 29 147 I CG1 633 526 293 29 147 I CD1 629 512 296 28 147 I CG2 640 522 268 28 147 I C 667 520 277 29 147 I O 670 510 270 30 148 M N 674 531 275 29 148 M CA 685 531 266 33 148 M CB 692 545 267 34 148 M CG 703 547 259 42 148 M SD 701 563 251 50 148 M CE 710 560 237 42 148 M C 696 520 269 33 148 M O 700 513 261 34 149 R N 699 519 282 31 149 R CA 708 508 286 32 149 R CB 712 510 301 32 149 R CG 723 500 307 37 149 R CD 723 500 323 41 149 R NE 710 494 327 45 149 R CZ 707 481 329 49 149 R NH1 695 478 333 47 149 R NH2 716 472 327 51 149 R C 702 494 284 30 149 R O 709 485 278 29 150 S N 690 492 288 28 150 S CA 684 478 287 29 150 S CB 672 476 296 31 150 S OG 662 484 293 31 150 S C 681 475 272 30 150 S O 682 463 268 29 151 F N 676 484 264 30 151 F CA 673 481 250 30 151 F CB 666 493 243 30 151 F CG 662 491 229 32 151 F CD1 652 482 226 32 151 F CE1 648 479 213 35 151 F CZ 655 485 202 34 151 F CE2 666 494 205 35 151 F CD2 669 497 219 33 151 F C 686 478 243 30 151 F O 686 468 235 31 152 S N 696 486 245 30 152 S CA 709 483 239 35 152 S CB 719 494 244 34 152 S OG 730 494 236 48 152 S C 714 469 243 37 152 S O 718 460 234 36 153 L N 714 465 256 37 153 L CA 717 451 260 40 153 L CB 715 449 275 40 153 L CG 726 452 285 46 153 L CD1 720 448 299 48 153 L CD2 738 443 283 46 153 L C 709 441 254 39 153 L O 715 431 249 41 154 S N 696 443 253 39 154 S CA 688 432 248 41 154 S CB 674 433 252 42 154 S OG 667 443 247 47 154 S C 690 431 232 43 154 S O 688 420 228 44 155 T N 693 441 225 41 155 T CA 695 440 211 43 155 T CB 691 452 203 43 155 T OG1 697 463 209 41 155 T CG2 676 456 204 43 155 T C 709 435 208 45 155 T O 711 427 198 46 156 N N 719 439 215 47 156 N CA 733 435 214 51 156 N CB 743 443 223 51 156 N CG 744 458 218 54 156 N OD1 739 462 208 56 156 N ND2 752 466 226 55 156 N C 735 420 217 54 156 N O 741 413 209 53 157 L N 729 416 228 57 157 L CA 728 401 232 60 157 L CB 721 400 246 60 157 L CG 729 404 258 61 157 L CD1 720 404 271 59 157 L CD2 741 394 261 62 157 L C 720 393 221 63 157 L O 724 382 218 63 158 Q N 709 399 216 65 158 Q CA 701 393 206 68 158 Q CB 689 401 203 69 158 Q CG 679 395 195 71 158 Q CD 677 401 181 75 158 Q OE1 670 395 172 75 158 Q NE2 682 414 179 74 158 Q C 709 391 193 70 158 Q O 708 380 187 70 159 E N 718 400 189 71 159 E CA 726 399 177 73 159 E CB 733 412 174 73 159 E CG 735 415 159 75 159 E CD 748 423 157 76 159 E OE1 749 428 145 78 159 E OE2 756 424 166 79 159 E C 737 388 179 74 159 E O 740 380 170 73 160 S N 744 389 191 75 160 S CA 752 379 197 75 160 S CB 752 366 189 76 160 S OG 753 355 197 77 160 S C 766 384 201 76 160 S O 773 391 193 77 201 X N 398 503 694 36 202 X N 442 412 −56 45 203 X N 651 356 342 49 204 X N 491 73 −151 54 205 X N 462 308 −225 47 206 X N 480 684 807 59 207 X N 682 203 462 58 1 X O 292 497 910 30 2 X O 248 627 824 27 3 X O 421 476 726 30 4 X O 364 474 749 31 5 X O 299 521 839 27 6 X O 285 484 827 34 7 X O 252 644 928 31 8 X O 452 490 727 35 9 X O 468 443 771 32 10 X O 251 677 805 29 11 X O 264 622 793 34 12 X O 382 575 691 41 13 X O 253 648 803 33 14 X O 436 463 825 37 15 X O 238 558 860 35 16 X O 289 499 805 35 17 X O 340 504 632 42 18 X O 408 504 983 37 19 X O 311 420 800 34 20 X O 464 528 890 32 21 X O 303 470 971 35 22 X O 327 482 697 36 23 X O 245 560 810 33 24 X O 266 685 826 38 25 X O 445 650 849 40 26 X O 380 380 825 43 27 X O 285 435 828 33 28 X O 436 461 863 45 29 X O 441 473 795 43 30 X O 273 658 937 46 31 X O 300 794 684 42 32 X O 459 560 966 49 33 X O 281 707 863 42 34 X O 279 445 746 46 35 X O 402 419 787 42 36 X O 274 424 849 46 37 X O 300 681 955 50 38 X O 311 432 774 38 39 X O 258 525 799 44 40 X O 454 502 780 39 41 X O 428 397 794 51 42 X O 343 682 938 38 43 X O 446 474 752 37 44 X O 251 504 742 43 45 X O 224 507 923 45 46 X O 461 458 828 45 47 X O 478 413 801 42 48 X O 440 473 888 40 49 X O 381 660 812 42 50 X O 256 476 907 46 51 X O 287 451 890 46 52 X O 478 462 813 57 53 X O 317 610 1045 49 54 X O 281 479 893 41 55 X O 460 556 939 51 56 X O 491 508 786 50 57 X O 248 734 681 50 58 X O 270 458 827 47 59 X O 261 517 827 51 60 X O 266 491 791 46 61 X O 401 664 797 44 62 X O 479 556 833 44 63 X O 419 654 779 46 64 X O 270 490 870 54 65 X O 378 391 961 52 66 X O 247 536 877 50 67 X O 292 590 657 62 68 X O 457 491 872 56 69 X O 328 697 951 46 70 X O 236 538 716 52 71 X O 475 551 881 49 72 X O 308 660 995 49 73 X O 490 512 815 48 74 X O 464 533 923 49 75 X O 262 430 870 58 76 X O 390 218 725 26 77 X O 335 427 763 27 78 X O 425 189 673 29 79 X O 499 358 686 30 80 X O 378 474 725 30 81 X O 435 454 725 28 82 X O 400 463 738 26 83 X O 328 398 798 31 84 X O 288 223 745 38 85 X O 423 375 829 33 86 X O 368 342 753 35 87 X O 360 315 745 29 88 X O 334 242 724 30 89 X O 346 468 713 32 90 X O 412 217 742 26 91 X O 436 215 731 35 92 X O 508 290 717 34 93 X O 338 185 768 33 94 X O 321 241 830 40 95 X O 538 396 571 45 96 X O 417 214 813 37 97 X O 379 410 813 49 98 X O 511 398 703 32 99 X O 499 231 749 36 100 X O 483 210 753 44 101 X O 452 206 751 46 102 X O 514 375 720 41 103 X O 324 323 645 43 104 X O 503 186 665 40 105 X O 357 191 664 32 106 X O 519 310 731 40 107 X O 523 231 762 41 108 X O 344 171 706 46 109 X O 419 190 747 41 110 X O 492 435 765 42 111 X O 371 171 640 42 112 X O 549 365 578 40 113 X O 360 403 734 41 114 X O 456 228 524 43 115 X O 442 245 539 40 116 X O 555 379 531 43 117 X O 494 411 783 41 118 X O 367 376 747 38 119 X O 533 378 741 43 120 X O 387 168 678 45 121 X O 539 399 678 45 122 X O 520 355 699 43 123 X O 426 253 832 38 124 X O 432 153 607 57 125 X O 484 153 659 45 126 X O 413 498 619 43 127 X O 411 172 767 47 128 X O 390 241 552 55 129 X O 519 380 765 38 130 X O 479 222 533 44 131 X O 357 447 731 38 132 X O 404 174 790 51 133 X O 358 383 712 43 134 X O 462 472 772 47 135 X O 482 222 823 46 160 X O 535 528 568 40 161 X O 625 515 611 38 162 X O 542 474 632 36 163 X O 729 371 499 37 164 X O 627 378 655 40 165 X O 666 475 436 38 166 X O 626 482 412 42 167 X O 682 396 390 36 168 X O 645 457 410 45 169 X O 706 447 617 43 170 X O 749 400 480 47 171 X O 736 441 413 42 172 X O 732 190 457 46 173 X O 620 442 617 38 174 X O 709 334 292 52 175 X O 742 276 626 37 176 X O 719 269 639 43 177 X O 644 432 624 36 178 X O 724 198 522 47 179 X O 601 428 455 39 180 X O 639 528 572 41 181 X O 546 395 646 42 182 X O 585 432 512 38 183 X O 648 404 375 35 184 X O 648 238 624 44 185 X O 563 480 536 36 186 X O 620 452 646 49 187 X O 727 409 565 37 188 X O 746 382 459 44 189 X O 662 341 717 53 190 X O 581 461 497 42 191 X O 789 397 595 53 192 X O 596 378 368 42 193 X O 628 389 364 41 194 X O 751 449 473 38 195 X O 576 438 453 46 196 X O 765 426 478 47 197 X O 759 463 492 49 198 X O 740 447 536 45 199 X O 624 536 499 47 200 X O 740 263 423 51 201 X O 604 410 432 56 202 X O 491 516 574 58 203 X O 675 277 688 48 204 X O 730 465 619 48 205 X O 763 225 475 57 206 X O 642 520 478 58 207 X O 723 378 346 56 208 X O 772 380 451 45 209 X O 560 541 565 48 210 X O 665 536 572 49 211 X O 741 423 546 45 212 X O 685 239 654 51 213 X O 770 312 459 49 214 X O 455 418 231 34 215 X O 511 411 204 40 216 X O 422 472 255 37 217 X O 507 374 266 40 218 X O 475 380 49 37 219 X O 401 391 −3 35 220 X O 336 425 163 36 221 X O 554 395 227 40 222 X O 484 382 140 38 223 X O 408 415 236 43 224 X O 496 340 21 40 225 X O 345 446 92 35 226 X O 405 328 64 44 227 X O 471 371 75 34 228 X O 512 450 173 45 229 X O 484 349 126 37 230 X O 469 368 111 41 231 X O 291 433 −5 43 232 X O 483 405 66 43 233 X O 517 303 219 45 234 X O 301 556 73 41 235 X O 433 401 236 41 236 X O 435 374 −11 31 237 X O 457 383 −24 36 238 X O 345 399 225 39 239 X O 499 307 53 42 240 X O 422 327 245 52 241 X O 489 479 250 42 242 X O 496 342 172 42 243 X O 367 403 −54 52 244 X O 369 459 284 62 245 X O 339 360 23 45 246 X O 300 342 −25 61 247 X O 314 376 2 53 248 X O 496 359 82 40 249 X O 295 468 133 45 250 X O 368 347 −10 46 251 X O 477 504 268 45 252 X O 380 329 76 48 253 X O 534 488 117 57 254 X O 499 396 81 49 255 X O 414 308 209 54 256 X O 293 464 −35 51 257 X O 424 293 118 62 258 X O 393 397 251 45 259 X O 312 550 43 49 260 X O 429 400 263 47 261 X O 325 414 78 46 262 X O 383 531 300 56 263 X O 361 394 248 51 264 X O 493 358 149 43 265 X O 396 99 −74 39 266 X O 371 135 −22 32 267 X O 318 164 −19 34 268 X O 416 387 −24 37 269 X O 399 126 67 43 270 X O 364 353 16 35 271 X O 483 250 −258 41 272 X O 508 249 −63 39 273 X O 500 180 −33 40 274 X O 272 146 2 34 275 X O 318 109 29 47 276 X O 415 122 −16 40 277 X O 393 129 −4 40 278 X O 362 235 −2 37 279 X O 467 358 −23 37 280 X O 384 386 −38 41 281 X O 448 303 48 47 282 X O 322 103 −51 44 283 X O 414 162 85 52 284 X O 361 249 30 33 285 X O 502 246 −238 42 286 X O 384 295 2 33 287 X O 479 126 0 45 288 X O 561 265 −108 45 289 X O 382 323 −13 44 290 X O 358 294 11 46 291 X O 498 133 −104 51 292 X O 374 299 −35 48 293 X O 519 327 17 47 294 X O 394 99 0 49 295 X O 513 284 −176 45 296 X O 512 132 −172 44 297 X O 498 214 −258 46 298 X O 388 368 −19 46 299 X O 361 316 −43 58 300 X O 513 403 −44 53 301 X O 374 342 −44 51 302 X O 527 285 −47 46 303 X O 334 97 −106 51 304 X O 494 130 −214 57 305 X O 510 311 −240 43 306 X O 378 262 7 45 307 X O 477 170 −236 48 308 X O 469 277 51 55 309 X O 311 169 89 46 310 X O 336 238 −58 46 311 X O 523 319 −208 51 312 X O 554 279 −74 51 313 X O 555 295 −46 54 314 X O 530 263 −31 45 315 X O 338 207 44 45 316 X O 614 411 358 35 317 X O 685 492 365 38 318 X O 555 496 297 30 319 X O 691 551 350 35 320 X O 713 443 401 34 321 X O 670 391 366 37 322 X O 719 551 294 37 323 X O 554 633 330 47 324 X O 526 630 346 50 325 X O 639 646 321 37 326 X O 615 644 309 42 327 X O 511 467 188 35 328 X O 499 514 256 43 329 X O 662 640 305 44 330 X O 520 432 182 42 331 X O 542 464 321 46 332 X O 720 578 286 43 333 X O 528 455 76 38 334 X O 580 433 395 44 335 X O 517 567 159 43 336 X O 720 615 317 40 337 X O 711 496 176 45 338 X O 510 436 145 39 339 X O 626 657 247 39 340 X O 721 594 264 45 341 X O 545 567 311 36 342 X O 716 476 426 38 343 X O 613 574 130 44 344 X O 536 487 330 45 345 X O 505 459 259 38 346 X O 686 527 362 42 347 X O 697 550 380 40 348 X O 717 619 253 42 349 X O 690 462 360 46 350 X O 500 404 320 48 351 X O 705 394 356 47 352 X O 600 499 412 47 353 X O 736 485 278 39 354 X O 504 534 270 45 355 X O 648 453 165 47 356 X O 580 358 353 50 357 X O 633 665 390 51 358 X O 699 672 202 56 359 X O 539 472 143 47 360 X O 519 491 352 50 361 X O 633 673 319 48 362 X O 515 599 170 59 363 X O 526 457 128 57 364 X O 748 526 233 51 365 X O 733 537 271 51 366 X O 760 633 316 54 367 X O 708 445 332 46 368 X O 480 582 293 56 369 X O 711 499 375 45 370 X O 532 505 307 51 371 X O 511 455 294 49 372 X O 368 556 1004 38 373 X O 387 484 986 41 374 X O 360 497 986 44 375 X O 455 566 681 52

Example 10 Crystallographic Analysis of Ground Based Experiments (Form 2)

Prior to data collection, crystals were washed with the reservoir solution of the crystallization setup and transferred into the same solution with 20% glycerol added. The crystals were then flash-cooled in liquid nitrogen. X-ray diffraction was collected using a synchrotron radiation at the IMCA-CAT beam line ID17 equipped with an ADCS detector. Data were integrated and scaled using the HKL package.

Data collection statistics: Resolution 20.0 − 2.02 Å No. of collected reflections 273773 No. of unique reflections (F >= 0) 44617 R-sym 6.8% Percent of theoretical (l/s >= 1) 97.9% Unit Cell a = 114.7 Å, b = 98.4 Å, c = 62.4 Å, α = 90°, β = 93.9°, γ = 90° Space Group C2 Asymmetric unit 3 molecules

Example 11 Structure Determination of Ground Based Derived Crystals (Form2)

The crystal structure was solved using molecular replacement using the search models 1 RH2 from the PDB. Refinement was done using the program Refmac.

TABLE 4 Atomic Coordinates of Zn²⁺ Complexed Interferon Alpha 2b Dimer-Crystal Form C₂ Resolution Limits 20.0 − 2.02 Å Number of unobserved reflections 1517 (2.3%) Number of reflections in working set 43731 (97.7%) Number of reflections in test set 886 (4.9%) Number of protein residues 437 Number of solvent atoms 183 Number of ions 3 zinc ions R-factor 0.196 R-free 0.22.9 RMSD bond length 0.025 Å RMSD bond angles 1.86°

The following table contains one line for each atom of the three alpha-interferon monomers, four zinc atoms and 186 water molecules in the asymmetric unit of the C-centered monoclinic space group. The three monomers are listed sequentially with the first monomer containing residues from 2 to 157 of SEQ ID NO:1, the second monomer from 6 to 160 of SEQ ID NO:1, and the third monomer from 7 to 156 of SEQ ID NO:1. The following 4 atom are the zinc atoms and at the end 186 water molecules are listed. The columns are: 1) residue number, 2) 1-letter amino acid code, 3) atom name, 4) x-coordinate multiplied by 10, 5) y-coordinate multiplied by 10, 6) z-coordinate multiplied by 10, and 7) B-factor.

2 A N 164 −221 317 85 2 A CA 167 −207 313 85 2 A CB 158 −196 320 85 2 A C 182 −203 313 85 2 A O 190 −209 306 84 3 L N 185 −191 319 84 3 L CA 196 −182 315 84 3 L CB 191 −168 316 84 3 L CG 178 −165 309 82 3 L CD1 168 −157 319 80 3 L CD2 180 −157 296 80 3 L C 210 −184 319 84 3 L O 213 −191 329 84 4 P N 220 −177 313 85 4 P CA 234 −177 317 84 4 P CB 240 −166 307 85 4 P CG 231 −166 295 85 4 P CD 217 −168 301 85 4 P C 237 −173 331 84 4 P O 228 −166 337 84 5 A N 248 −177 336 84 5 A CA 253 −172 349 83 5 A CB 267 −178 353 84 5 A C 253 −157 350 83 5 A O 249 −151 360 83 6 T N 258 −151 339 82 6 T CA 260 −136 337 80 6 T CB 271 −134 326 80 6 T OG1 274 −120 324 81 6 T CG2 267 −140 313 81 6 T C 248 −127 335 78 6 T O 250 −114 334 78 7 H N 236 −132 335 75 7 H CA 224 −125 332 72 7 H CB 212 −133 327 72 7 H CG 201 −126 320 74 7 H ND1 202 −121 307 74 7 H CE1 191 −115 303 75 7 H NE2 183 −115 314 76 7 H CD2 189 −122 324 75 7 H C 218 −115 343 70 7 H O 216 −103 340 70 8 S N 216 −119 356 66 8 S CA 211 −109 365 62 8 S CB 206 −115 378 63 8 S OG 197 −105 384 63 8 S C 221 −98 368 59 8 S O 217 −86 371 57 9 L N 234 −101 366 56 9 L CA 244 −90 365 55 9 L CB 258 −96 364 57 9 L CG 270 −86 364 61 9 L CD1 269 −75 375 63 9 L CD2 283 −94 365 64 9 L C 241 −80 354 53 9 L O 243 −68 355 51 10 G N 236 −85 342 50 10 G CA 234 −76 331 47 10 G C 222 −67 333 45 10 G O 222 −55 328 45 11 S N 212 −72 340 43 11 S CA 201 −65 344 43 11 S CB 191 −76 348 43 11 S OG 184 −72 360 50 11 S C 205 −54 355 41 11 S O 201 −43 354 40 12 R N 214 −58 364 40 12 R CA 218 −48 373 41 12 R CB 225 −54 385 42 12 R CG 215 −62 394 47 12 R CD 220 −65 408 56 12 R NE 233 −72 406 65 12 R CZ 235 −85 408 69 12 R NH1 225 −93 412 74 12 R NH2 248 −90 407 69 12 R C 227 −37 366 40 12 R O 226 −25 370 39 13 R N 235 −40 356 38 13 R CA 243 −30 349 39 13 R CB 253 −37 339 40 13 R CG 265 −43 346 48 13 R CD 276 −50 337 58 13 R NE 271 −58 325 62 13 R CZ 271 −71 325 66 13 R NH1 275 −79 335 68 13 R NH2 266 −77 314 65 13 R C 234 −21 341 37 13 R O 236 −9 339 37 14 T N 223 −27 336 35 14 T CA 213 −18 329 34 14 T CB 202 −28 323 34 14 T OG1 208 −36 313 37 14 T CG2 192 −20 315 35 14 T C 206 −7 338 32 14 T O 205 4 334 31 15 L N 202 −11 350 31 15 L CA 196 −2 359 32 15 L CB 191 −9 372 31 15 L CG 178 −17 370 37 15 L CD1 176 −25 383 39 15 L CD2 167 −8 368 33 15 L C 206 9 364 31 15 L O 203 20 365 30 16 M N 219 4 366 30 16 M CA 230 14 369 33 16 M CB 243 7 371 33 16 M CG 254 17 377 39 16 M SD 269 8 380 46 16 M CE 280 20 387 45 16 M C 231 25 358 32 16 M O 233 37 361 32 17 L N 231 21 346 32 17 L CA 233 30 335 32 17 L CB 235 23 321 32 17 L CG 249 16 320 34 17 L CD1 249 6 308 34 17 L CD2 260 26 317 38 17 L C 221 40 334 32 17 L O 223 52 331 31 18 L N 209 35 335 30 18 L CA 197 44 336 32 18 L CB 184 36 337 33 18 L CG 178 31 324 36 18 L CD1 169 18 328 35 18 L CD2 171 42 317 33 18 L C 198 54 348 31 18 L O 194 65 346 30 19 A N 203 49 359 31 19 A CA 204 58 371 31 19 A CB 208 49 383 30 19 A C 215 69 369 31 19 A O 213 80 373 33 20 Q N 225 65 361 31 20 Q CA 236 75 358 31 20 Q CB 249 67 353 32 20 Q CG 255 60 366 31 20 Q CD 267 51 362 41 20 Q OE1 268 46 351 42 20 Q NE2 276 50 371 44 20 Q C 232 84 346 31 20 Q O 238 95 345 31 21 M N 222 81 338 31 21 M CA 217 90 327 32 21 M CB 208 82 318 32 21 M CG 216 74 307 32 21 M SD 208 60 298 40 21 M CE 194 70 294 34 21 M C 209 101 333 32 21 M O 208 111 326 33 22 R N 203 99 344 32 22 R CA 195 110 351 32 22 R CB 192 106 365 34 22 R CG 180 115 370 34 22 R CD 177 117 385 43 22 R NE 184 129 390 39 22 R CZ 181 136 401 38 22 R NH1 171 135 410 38 22 R NH2 190 146 403 36 22 R C 202 123 351 35 22 R O 214 124 355 35 23 R N 195 134 347 35 23 R CA 200 147 346 37 23 R CB 199 153 333 38 23 R CG 208 146 323 40 23 R CD 206 154 310 49 23 R NE 216 149 300 55 23 R CZ 217 155 288 62 23 R NH1 209 166 285 60 23 R NH2 226 150 279 59 23 R C 193 156 356 37 23 R O 199 165 362 38 24 I N 180 155 356 35 24 I CA 172 163 365 34 24 I CB 163 174 357 33 24 I CG1 153 167 347 31 24 I CD1 144 177 340 37 24 I CG2 172 184 349 35 24 I C 162 155 373 34 24 I O 161 143 370 34 25 S N 156 161 383 33 25 S CA 148 155 392 33 25 S CB 147 163 405 33 25 S OG 138 156 415 33 25 S C 134 153 387 32 25 S O 128 162 382 31 26 L N 128 141 389 32 26 L CA 114 139 386 35 26 L CB 111 124 390 34 26 L CG 97 120 387 43 26 L CD1 97 120 372 44 26 L CD2 93 107 394 46 26 L C 105 149 394 35 26 L O 93 152 390 35 27 F N 109 153 406 36 27 F CA 102 162 415 36 27 F CB 106 161 429 34 27 F CG 101 149 436 36 27 F CD1 89 148 442 38 27 F CE1 84 137 447 39 27 F CZ 92 125 446 37 27 F CE2 104 126 440 34 27 F CD2 109 137 435 33 27 F C 103 177 409 35 27 F O 95 185 414 38 28 S N 112 180 400 36 28 S CA 111 192 393 39 28 S CB 125 196 388 39 28 S OG 135 194 398 44 28 S C 102 192 381 39 28 S O 101 201 373 38 29 C N 95 180 379 39 29 C CA 87 178 367 38 29 C CB 94 166 359 39 29 C SG 111 170 354 45 29 C C 73 173 371 38 29 C O 67 166 363 36 30 L N 68 177 382 37 30 L CA 55 171 386 39 30 L CB 51 174 400 38 30 L CG 61 169 411 42 30 L CD1 56 173 425 44 30 L CD2 62 153 410 43 30 L C 43 174 377 39 30 L O 34 166 375 40 31 K N 44 186 370 41 31 K CA 34 190 361 41 31 K CB 36 204 355 42 31 K CG 48 205 346 47 31 K CD 52 220 343 51 31 K CE 62 221 331 55 31 K NZ 75 212 332 52 31 K C 33 180 349 40 31 K O 22 179 343 39 32 D N 44 173 347 37 32 D CA 44 163 336 38 32 D CB 57 164 328 38 32 D CG 59 178 323 42 32 D OD1 50 183 316 44 32 D OD2 68 185 326 48 32 D C 42 149 340 37 32 D O 43 139 332 37 33 R N 38 146 352 37 33 R CA 38 133 358 37 33 R CB 36 133 373 36 33 R CG 22 136 378 43 33 R CD 21 139 393 49 33 R NE 11 149 395 60 33 R CZ −2 146 397 65 33 R NH1 −5 133 398 67 33 R NH2 −11 155 399 67 33 R C 27 125 350 37 33 R O 17 131 346 36 34 H N 29 112 349 35 34 H CA 20 104 340 35 34 H CB 23 107 326 36 34 H CG 13 101 316 40 34 H ND1 3 108 310 45 34 H CE1 −4 100 302 47 34 H NE2 2 88 303 42 34 H CD2 13 88 311 39 34 H C 21 89 344 35 34 H O 32 85 345 34 35 D N 10 83 345 33 35 D CA 10 68 347 33 35 D CB −2 65 357 34 35 D CG −1 50 362 37 35 D OD1 −6 47 373 38 35 D OD2 4 40 355 36 35 D C 7 61 334 32 35 D O −4 63 329 29 36 F N 16 53 329 31 36 F CA 15 47 316 29 36 F CB 29 46 310 29 36 F CG 35 59 307 28 36 F CD1 44 64 316 33 36 F CE1 51 76 314 28 36 F CZ 48 84 302 33 36 F CE2 39 78 292 32 36 F CD2 32 66 295 31 36 F C 8 34 316 31 36 F O 7 27 305 30 37 G N 4 29 328 29 37 G CA −3 16 329 28 37 G C 6 4 325 30 37 G O 2 −4 316 28 38 F N 18 4 330 29 38 F CA 26 −8 327 29 38 F CB 39 −7 336 27 38 F CG 49 −18 333 30 38 F CD1 54 −20 320 31 38 F CE1 63 −31 317 31 38 F CZ 67 −40 327 31 38 F CE2 62 −37 340 30 38 F CD2 53 −27 343 29 38 F C 19 −21 330 29 38 F O 15 −23 342 29 39 P N 19 −31 321 29 39 P CA 12 −44 324 29 39 P CB 9 −49 310 30 39 P CG 20 −43 301 31 39 P CD 23 −29 307 28 39 P C 21 −54 331 32 39 P O 26 −64 326 31 40 Q N 24 −50 344 33 40 Q CA 33 −58 353 34 40 Q CB 35 −51 366 35 40 Q CG 22 −50 374 40 40 Q CD 25 −43 388 45 40 Q OE1 25 −31 388 48 40 Q NE2 28 −51 398 49 40 Q C 28 −72 355 35 40 Q O 37 −82 355 35 41 E N 15 −75 354 33 41 E CA 10 −88 354 34 41 E CB −6 −88 355 35 41 E CG −13 −85 342 35 41 E CD −13 −70 338 34 41 E OE1 −7 −62 345 34 41 E OE2 −19 −67 327 31 41 E C 14 −98 343 36 41 E O 15 −110 346 36 42 E N 19 −93 332 36 42 E CA 25 −102 322 37 42 E CB 28 −95 309 39 42 E CG 18 −87 301 40 42 E CD 4 −91 302 44 42 E OE1 −1 −101 296 45 42 E OE2 −2 −84 310 50 42 E C 38 −108 327 40 42 E O 42 −117 321 39 43 F N 44 −102 336 42 43 F CA 57 −106 342 47 43 F CB 68 −95 342 44 43 F CG 69 −87 329 40 43 F CD1 60 −77 326 31 43 F CE1 61 −70 314 35 43 F CZ 72 −72 306 34 43 F CE2 80 −82 309 34 43 F CD2 79 −90 320 38 43 F C 55 −109 357 53 43 F O 57 −99 365 56 44 G N 50 −120 360 55 44 G CA 47 −123 374 60 44 G C 45 −137 376 63 44 G O 46 −145 366 63 45 N N 42 −141 388 67 45 N CA 41 −155 392 70 45 N CB 45 −157 407 71 45 N CG 60 −155 409 74 45 N OD1 68 −161 402 79 45 N ND2 63 −146 419 78 45 N C 27 −161 389 71 45 N O 23 −171 396 72 46 Q N 21 −156 379 72 46 Q CA 8 −162 374 73 46 Q CB −2 −151 372 73 46 Q CG −15 −154 365 74 46 Q CD −23 −141 362 75 46 Q OE1 −28 −134 370 73 46 Q NE2 −25 −139 349 76 46 Q C 12 −170 361 74 46 Q O 3 −178 356 74 47 F N 24 −168 356 74 47 F CA 29 −176 345 74 47 F CB 31 −167 332 74 47 F CG 19 −157 329 74 47 F CD1 8 −162 323 75 47 F CE1 −3 −153 320 77 47 F CZ −1 −139 324 75 47 F CE2 10 −135 331 72 47 F CD2 20 −144 333 72 47 F C 42 −183 348 73 47 F O 49 −180 357 72 48 G N 45 −193 339 74 48 G CA 54 −204 341 74 48 G C 69 −202 345 75 48 G O 75 −210 353 76 49 A N 75 −192 338 74 49 A CA 90 −188 339 72 49 A CB 99 −198 347 72 49 A C 95 −186 324 70 49 A O 99 −175 320 70 50 A N 94 −197 317 68 50 A CA 97 −196 303 66 50 A CB 102 −210 297 66 50 A C 85 −191 295 64 50 A O 86 −188 283 64 51 E N 74 −189 302 61 51 E CA 62 −183 296 59 51 E CB 50 −185 304 61 51 E CG 44 −199 304 66 51 E CD 30 −200 311 71 51 E OE1 20 −198 304 72 51 E OE2 30 −203 323 72 51 E C 64 −168 295 55 51 E O 58 −161 286 55 52 T N 72 −162 303 50 52 T CA 74 −148 302 47 52 T CB 73 −141 316 48 52 T OG1 85 −144 322 51 52 T CG2 62 −148 324 50 52 T C 87 −143 294 43 52 T O 89 −131 293 41 53 I N 95 −152 290 39 53 I CA 107 −149 281 39 53 I CB 115 −162 277 39 53 I CG1 121 −168 289 43 53 I CD1 128 −158 299 48 53 I CG2 124 −159 265 39 53 I C 102 −140 270 36 53 I O 109 −131 267 37 54 P N 92 −144 262 34 54 P CA 89 −136 250 34 54 P CB 76 −143 245 35 54 P CG 77 −157 250 35 54 P CD 83 −155 264 36 54 P C 85 −121 253 33 54 P O 88 −112 246 31 55 V N 78 −119 264 32 55 V CA 73 −106 268 32 55 V CB 62 −108 279 34 55 V CG1 68 −112 292 36 55 V CG2 55 −96 281 33 55 V C 85 −98 274 31 55 V O 86 −86 271 30 56 L N 94 −104 281 31 56 L CA 106 −98 286 34 56 L CB 113 −107 296 34 56 L CG 126 −100 301 43 56 L CD1 124 −87 309 42 56 L CD2 134 −110 310 46 56 L C 115 −94 274 33 56 L O 121 −83 274 32 57 H N 116 −103 264 32 57 H CA 123 −100 252 31 57 H CB 124 −113 243 30 57 H CG 131 −111 230 32 57 H ND1 124 −106 219 33 57 H CE1 132 −106 209 35 57 H NE2 144 −109 213 35 57 H CD2 144 −113 226 30 57 H C 117 −88 245 31 57 H O 124 −79 240 30 58 E N 103 −88 244 30 58 E CA 97 −76 238 30 58 E CB 82 −78 237 31 58 E CG 75 −66 230 31 58 E CD 78 −65 215 36 58 E OE1 77 −55 209 37 58 E OE2 79 −76 209 38 58 E C 100 −63 246 32 58 E O 103 −52 239 33 59 M N 100 −64 259 29 59 M CA 103 −52 267 31 59 M CB 103 −57 282 31 59 M CG 106 −48 294 39 59 M SD 92 −36 295 46 59 M CE 100 −25 309 38 59 M C 118 −46 264 30 59 M O 120 −34 262 31 60 I N 127 −55 263 30 60 I CA 141 −52 260 32 60 I CB 150 −63 264 32 60 I CG1 150 −65 279 36 60 I CD1 156 −77 284 43 60 I CG2 165 −59 259 34 60 I C 143 −46 247 31 60 I O 149 −35 245 31 61 Q N 137 −52 237 31 61 Q CA 138 −47 224 32 61 Q CB 131 −57 214 32 61 Q CG 129 −50 200 30 61 Q CD 142 −51 192 35 61 Q OE1 148 −61 192 35 61 Q NE2 145 −40 185 36 61 Q C 131 −33 223 32 61 Q O 136 −24 216 33 62 Q N 120 −31 229 30 62 Q CA 113 −18 229 29 62 Q CB 99 −19 236 30 62 Q CG 88 −27 227 32 62 Q CD 86 −21 214 36 62 Q OE1 87 −9 212 40 62 Q NE2 83 −29 204 38 62 Q C 121 −7 237 29 62 Q O 121 5 233 28 63 I N 128 −11 248 27 63 I CA 136 −1 255 29 63 I CB 142 −7 268 28 63 I CG1 131 −8 279 29 63 I CD1 135 −18 290 30 63 I CG2 154 1 274 28 63 I C 148 3 245 29 63 I O 151 14 244 29 64 F N 154 −7 238 31 64 F CA 163 −4 228 32 64 F CB 169 −17 222 32 64 F CG 179 −13 211 35 64 F CD1 193 −12 213 39 64 F CE1 202 −9 203 45 64 F CZ 197 −6 190 38 64 F CE2 184 −7 187 40 64 F CD2 175 −10 198 36 64 F C 157 6 217 33 64 F O 163 16 214 34 65 N N 145 3 213 35 65 N CA 140 11 202 35 65 N CB 126 7 197 35 65 N CG 126 −7 190 40 65 N OD1 137 −12 186 41 65 N ND2 114 −13 188 40 65 N C 138 26 207 36 65 N O 141 35 200 37 66 L N 133 27 220 32 66 L CA 131 40 226 33 66 L CB 124 38 239 32 66 L CG 121 51 248 33 66 L CD1 110 60 242 33 66 L CD2 115 45 262 35 66 L C 143 48 228 32 66 L O 143 60 226 33 67 F N 154 2 232 31 67 F CA 166 50 236 30 67 F CB 173 44 248 29 67 F CG 165 48 261 31 67 F CD1 156 40 266 32 67 F CE1 149 43 278 34 67 F CZ 151 55 285 32 67 F CE2 161 64 279 34 67 F CD2 168 60 267 32 67 F C 176 51 224 33 67 F O 187 57 227 34 68 S N 173 46 213 34 68 S CA 182 46 201 37 68 S CB 185 32 196 35 68 S OG 174 27 189 35 68 S C 178 56 190 39 68 S O 184 56 180 42 69 T N 167 64 193 39 69 T CA 163 74 184 41 69 T CB 149 80 187 40 69 T OG1 149 85 200 38 69 T CG2 137 69 186 39 69 T C 172 86 184 42 69 T O 181 87 193 42 70 A N 171 95 174 43 70 A CA 178 107 174 43 70 A CB 176 114 160 44 70 A C 174 116 185 42 70 A O 181 124 190 42 71 D N 161 116 189 42 71 D CA 156 123 200 41 71 D CB 141 121 202 42 71 D CG 134 125 189 48 71 D OD1 131 137 187 50 71 D OD2 131 117 180 49 71 D C 163 119 214 40 71 D O 166 127 222 39 72 S N 165 106 215 38 72 S CA 172 101 227 38 72 S CB 171 86 228 36 72 S OG 179 80 239 37 72 S C 187 105 227 40 72 S O 193 109 237 38 73 S N 193 104 215 40 73 S CA 207 109 213 43 73 S CB 212 107 199 44 73 S OG 216 93 198 46 73 S C 209 124 218 42 73 S O 219 127 223 43 74 A N 199 132 215 42 74 A CA 199 146 220 43 74 A CB 189 154 211 43 74 A C 196 148 235 42 74 A O 199 159 241 42 75 A N 190 138 241 39 75 A CA 185 139 255 36 75 A CB 171 132 256 34 75 A C 195 134 265 35 75 A O 195 138 277 36 76 W N 204 124 262 35 76 W CA 211 117 272 36 76 W CB 206 102 273 34 76 W CG 191 102 276 35 76 W CD1 181 97 267 32 76 W NE1 169 98 273 32 76 W CE2 171 104 286 32 76 W CD2 185 106 288 29 76 W CE3 189 112 300 31 76 W CZ3 180 115 309 27 76 W CH2 166 113 308 28 76 W CZ2 161 107 296 29 76 W C 226 116 268 39 76 W O 229 117 256 40 77 D N 234 114 278 40 77 D CA 248 112 275 42 77 D CB 256 110 288 41 77 D CG 271 109 286 45 77 D OD1 278 98 286 50 77 D OD2 278 119 282 52 77 D C 252 101 265 42 77 D O 249 89 267 40 78 E N 260 105 255 42 78 E CA 264 96 244 44 78 E CB 270 103 232 45 78 E CG 275 94 220 52 78 E CD 285 101 210 61 78 E OE1 288 95 200 65 78 E OE2 290 113 213 62 78 E C 272 84 249 43 78 E O 270 73 245 44 79 T N 282 85 258 42 79 T CA 289 74 264 43 79 T CB 301 79 273 44 79 T OG1 309 88 266 51 79 T CG2 310 68 278 45 79 T C 280 64 271 42 79 T O 282 52 270 40 80 L N 271 70 279 39 80 L CA 262 61 287 36 80 L CB 254 70 297 35 80 L CG 262 76 309 38 80 L CD1 253 83 319 38 80 L CD2 270 65 316 40 80 L C 252 53 278 35 80 L O 250 41 280 34 81 L N 247 60 268 35 81 L CA 238 54 258 37 81 L CB 233 64 248 34 81 L CG 221 73 253 37 81 L CD1 217 82 241 34 81 L CD2 209 63 256 33 81 L C 245 42 251 38 81 L O 239 31 249 38 82 D N 258 44 247 39 82 D CA 265 33 241 39 82 D CB 279 39 237 42 82 D CG 283 34 224 50 82 D OD1 276 38 213 58 82 D OD2 292 25 223 57 82 D C 267 21 250 38 82 D O 266 10 245 36 83 K N 271 23 262 37 83 K CA 272 12 271 38 83 K CB 277 16 285 37 83 K CG 291 23 284 44 83 K CD 297 24 298 48 83 K CE 313 26 297 60 83 K NZ 319 33 309 64 83 K C 258 5 274 36 83 K O 258 −7 276 36 84 F N 248 13 274 36 84 F CA 234 9 275 35 84 F CB 225 21 276 35 84 F CG 210 19 280 33 84 F CD1 207 13 292 34 84 F CE1 193 12 296 35 84 F CZ 183 17 288 31 84 F CE2 186 23 276 35 84 F CD2 200 25 272 34 84 F C 229 0 263 36 84 F O 224 −11 265 36 85 Y N 232 4 251 37 85 Y CA 230 −5 239 38 85 Y CB 235 2 226 37 85 Y CG 229 15 223 36 85 Y CD1 216 18 228 36 85 Y CE1 210 30 226 35 85 Y CZ 217 41 219 35 85 Y OH 212 53 217 35 85 Y CE2 230 38 215 39 85 Y CD2 236 26 217 36 85 Y C 237 −18 240 38 85 Y O 231 −29 239 39 86 T N 249 −18 245 39 86 T CA 256 −30 247 40 86 T CB 271 −27 252 41 86 T OG1 279 −22 241 44 86 T CG2 278 −41 255 43 86 T C 249 −39 257 39 86 T O 248 −51 254 39 87 E N 245 −34 268 37 87 E CA 238 −43 278 37 87 E CB 235 −36 291 39 87 E CG 247 −30 298 40 87 E CD 257 −42 301 48 87 E OE1 252 −53 305 51 87 E OE2 269 −40 299 49 87 E C 225 −48 272 36 87 E O 222 −60 273 38 88 L N 218 −40 265 35 88 L CA 206 −44 259 36 88 L CB 199 −31 253 34 88 L CG 194 −21 264 35 88 L CD1 188 −10 256 35 88 L CD2 183 −27 273 35 88 L C 208 −55 248 38 88 L O 201 −65 249 37 89 Y N 217 −54 239 38 89 Y CA 220 −65 230 39 89 Y CB 233 −62 221 39 89 Y CG 232 −51 212 42 89 Y CD1 220 −49 204 44 89 Y CE1 219 −38 195 50 89 Y CZ 230 −29 194 51 89 Y OH 230 −18 185 55 89 Y CE2 242 −31 201 47 89 Y CD2 243 −42 210 45 89 Y C 223 −78 236 39 89 Y O 219 −88 232 38 90 Q N 231 −78 247 38 90 Q CA 235 −90 254 40 90 Q CB 246 −87 264 41 90 Q CG 252 −99 271 49 90 Q CD 257 −111 261 59 90 Q OE1 263 −108 250 63 90 Q NE2 254 −123 264 59 90 Q C 223 −97 260 40 90 Q O 220 −109 259 37 91 Q N 214 −89 267 38 91 Q CA 202 −94 272 38 91 Q CB 194 −84 280 38 91 Q CG 202 −81 293 41 91 Q CD 194 −70 301 48 91 Q OE1 186 −74 309 50 91 Q NE2 198 −58 298 45 91 Q C 193 −100 261 37 91 Q O 187 −111 263 36 92 L N 191 −93 250 37 92 L CA 183 −98 239 38 92 L CB 183 −88 228 37 92 L CG 174 −76 229 43 92 L CD1 176 −66 217 42 92 L CD2 158 −80 229 37 92 L C 189 −112 234 39 92 L O 182 −121 232 38 93 N N 202 −113 232 41 93 N CA 208 −125 228 42 93 N CB 223 −124 226 44 93 N CG 226 −123 212 51 93 N OD1 226 −133 205 58 93 N ND2 230 −111 208 58 93 N C 206 −136 238 41 93 N O 203 −148 234 42 94 D N 208 −134 251 40 94 D CA 205 −144 261 41 94 D CB 208 −139 275 42 94 D CG 223 −136 277 48 94 D OD1 231 −137 268 53 94 D OD2 227 −132 289 54 94 D C 191 −149 261 40 94 D O 189 −161 262 40 95 L N 182 −140 258 38 95 L CA 168 −144 258 39 95 L CB 158 −132 259 37 95 L CG 159 −125 272 37 95 L CD1 152 −112 272 35 95 L CD2 153 −133 284 37 95 L C 164 −152 246 40 95 L O 157 −162 246 40 96 E N 170 −148 234 40 96 E CA 169 −155 222 43 96 E CB 176 −146 211 43 96 E CG 167 −134 208 46 96 E CD 173 −124 198 49 96 E OE1 181 −129 189 51 96 E OE2 169 −112 198 44 96 E C 175 −169 222 45 96 E O 170 −178 215 45 97 A N 186 −171 230 45 97 A CA 191 −185 231 48 97 A CB 204 −184 240 47 97 A C 182 −195 237 49 97 A O 183 −207 236 49 98 C N 171 −190 244 51 98 C CA 161 −199 251 53 98 C CB 152 −191 260 53 98 C SG 160 −184 274 56 98 C C 153 −206 240 53 98 C O 147 −217 243 53 99 V N 152 −200 228 54 99 V CA 145 −207 217 56 99 V CB 146 −198 204 56 99 V CG1 141 −206 193 56 99 V CG2 137 −185 206 56 99 V C 151 −221 214 57 99 V O 144 −231 214 56 100 I N 164 −222 212 58 100 I CA 171 −235 209 61 100 I CB 187 −233 208 60 100 I CG1 190 −225 196 63 100 I CD1 182 −229 183 65 100 I CG2 194 −247 208 63 100 I C 168 −245 220 61 100 I O 163 −256 217 61 101 Q N 170 −241 233 62 101 Q CA 166 −249 245 63 101 Q CB 169 −241 258 63 101 Q CG 183 −238 261 66 101 Q CD 184 −229 274 70 101 Q OE1 174 −229 282 70 101 Q NE2 195 −223 276 71 101 Q C 152 −254 245 62 101 Q O 149 −263 253 63 102 G N 143 −248 238 62 102 G CA 129 −252 238 61 102 G C 125 −262 227 62 102 G O 113 −267 227 61 103 V N 134 −266 218 62 103 V CA 130 −274 206 62 103 V CB 141 −275 196 62 103 V CG1 137 −284 184 61 103 V CG2 144 −261 191 62 103 V C 124 −288 210 62 103 V O 130 −296 217 62 110 A N 19 −211 261 74 110 A CA 24 −211 247 74 110 A CB 21 −224 240 74 110 A C 21 −199 238 73 110 A O 30 −193 232 73 111 A N 8 −194 238 71 111 A CA 4 −182 230 69 111 A CB −11 −184 225 70 111 A C 5 −169 238 66 111 A O −3 −166 247 67 112 K N 16 −162 236 62 112 K CA 17 −149 242 57 112 K CB 32 −147 248 58 112 K CG 34 −156 261 59 112 K CD 22 −155 270 61 112 K CE 25 −162 284 61 112 K NZ 17 −156 295 64 112 K C 15 −137 233 52 112 K O 20 −126 237 50 113 A N 8 −139 222 46 113 A CA 7 −128 212 43 113 A CB −1 −131 200 42 113 A C 1 −115 218 42 113 A O 5 −104 214 41 114 D N −10 −116 226 40 114 D CA −17 −104 231 39 114 D CB −30 −108 236 40 114 D CG −40 −111 225 46 114 D OD1 −47 −122 226 54 114 D OD2 −41 −105 214 51 114 D C −8 −98 242 35 114 D O −9 −86 243 36 115 S N −1 −106 250 33 115 S CA 8 −101 260 34 115 S CB 14 −112 269 34 115 S OG 3 −118 276 39 115 S C 20 −93 254 34 115 S O 24 −83 259 32 116 I N 26 −99 243 33 116 I CA 35 −91 235 33 116 I CB 40 −100 223 34 116 I CG1 49 −111 229 33 116 I CD1 54 −122 219 41 116 I CG2 49 −91 214 36 116 I C 30 −78 231 32 116 I O 36 −68 232 30 117 L N 18 −78 225 32 117 L CA 12 −66 220 33 117 L CB −2 −68 213 34 117 L CG 0 −75 199 42 117 L CD1 −13 −78 192 47 117 L CD2 10 −69 190 46 117 L C 9 −56 232 32 117 L O 10 −44 230 31 118 A N 6 −61 244 30 118 A CA 3 −52 255 29 118 A CB −1 −60 267 28 118 A C 16 −44 259 29 118 A O 15 −33 262 27 119 V N 28 −51 259 29 119 V CA 41 −44 260 30 119 V CB 52 −55 262 31 119 V CG1 66 −47 263 32 119 V CG2 50 −63 274 29 119 V C 43 −34 250 31 119 V O 47 −23 252 31 120 R N 41 −37 237 31 120 R CA 42 −27 226 32 120 R CB 38 −33 213 33 120 R CG 48 −40 206 35 120 R CD 46 −44 191 37 120 R NE 55 −56 190 36 120 R CZ 53 −67 184 39 120 R NH1 42 −68 176 39 120 R NH2 62 −77 186 36 120 R C 33 −16 228 31 120 R O 37 −5 225 33 121 K N 20 −18 232 29 121 K CA 11 −6 234 29 121 K CB −3 −10 237 29 121 K CG −10 −17 225 34 121 K CD −24 −20 229 41 121 K CE −31 −28 217 49 121 K NZ −39 −19 208 55 121 K C 16 3 246 28 121 K O 14 15 246 28 122 Y N 22 −3 256 27 122 Y CA 27 5 267 28 122 Y CB 33 −5 278 27 122 Y CG 43 1 287 27 122 Y CD1 39 9 298 25 122 Y CE1 48 14 307 29 122 Y CZ 62 11 306 29 122 Y OH 71 15 315 29 122 Y CE2 66 3 296 29 122 Y CD2 57 −2 287 24 122 Y C 38 14 262 28 122 Y O 38 26 264 27 123 F N 48 9 254 29 123 F CA 58 18 247 30 123 F CB 69 9 241 29 123 F CG 79 4 251 31 123 F CD1 89 12 256 30 123 F CE1 98 8 265 26 123 F CZ 96 −5 272 29 123 F CE2 85 −13 268 29 123 F CD2 77 −8 257 29 123 F C 52 27 237 31 123 F O 57 38 235 31 124 Q N 40 24 230 29 124 Q CA 34 34 222 29 124 Q CB 22 28 214 28 124 Q CG 27 19 203 33 124 Q CD 15 10 198 42 124 Q OE1 3 11 202 41 124 Q NE2 18 1 188 45 124 Q C 29 46 230 30 124 Q O 29 57 225 29 125 R N 23 43 242 28 125 R CA 19 53 251 28 125 R CB 12 48 263 29 125 R CG −2 41 260 30 125 R CD −11 39 272 26 125 R NE −5 28 281 29 125 R CZ −7 15 279 29 125 R NH1 −14 11 268 28 125 R NH2 −2 6 287 29 125 R C 31 62 255 28 125 R O 30 74 255 29 126 I N 42 56 258 28 126 I CA 54 64 261 28 126 I CB 66 54 266 27 126 I CG1 63 49 281 27 126 I CD1 73 37 285 27 126 I CG2 80 61 266 26 126 I C 59 73 250 30 126 I O 61 85 252 31 127 T N 60 67 238 30 127 T CA 63 75 225 35 127 T CB 64 65 213 35 127 T OG1 75 57 215 43 127 T CG2 66 72 200 41 127 T C 54 86 222 34 127 T O 58 98 219 36 128 L N 41 84 222 35 128 L CA 31 94 221 35 128 L CB 17 89 221 35 128 L CG 6 99 220 37 128 L CD1 7 107 206 34 128 L CD2 −7 92 220 40 128 L C 33 105 231 36 128 L O 31 117 228 35 129 Y N 34 102 244 34 129 Y CA 36 111 254 32 129 Y CB 38 104 268 31 129 Y CG 44 112 279 34 129 Y CD1 35 118 288 31 129 Y CE1 41 126 299 32 129 Y CZ 54 127 300 30 129 Y OH 59 135 311 29 129 Y CE2 63 121 291 31 129 Y CD2 58 113 281 28 129 Y C 49 121 251 32 129 Y O 48 133 252 33 130 L N 60 115 247 32 130 L CA 72 123 244 33 130 L CB 83 114 241 31 130 L CG 91 107 253 34 130 L CD1 100 96 248 27 130 L CD2 98 118 262 29 130 L C 70 133 232 36 130 L O 74 145 233 33 131 K N 64 127 222 36 131 K CA 60 135 210 39 131 K CB 53 126 200 40 131 K CG 50 131 186 49 131 K CD 44 120 178 55 131 K CE 48 121 163 63 131 K NZ 41 133 156 67 131 K C 51 147 214 38 131 K O 54 158 211 40 132 E N 40 144 221 38 132 E CA 32 155 225 39 132 E CB 19 150 232 41 132 E CG 11 141 222 47 132 E CD −3 137 225 55 132 E OE1 −6 135 237 56 132 E OE2 −12 136 215 63 132 E C 38 166 235 40 132 E O 32 177 235 39 133 K N 48 162 243 38 133 K CA 55 171 251 39 133 K CB 60 164 265 39 133 K CG 49 159 273 38 133 K CD 43 168 283 44 133 K CE 32 161 292 44 133 K NZ 28 172 302 48 133 K C 68 177 244 39 133 K O 76 183 251 40 134 K N 69 172 232 40 134 K CA 80 177 223 41 134 K CB 78 192 219 42 134 K CG 66 195 211 46 134 K CD 64 210 208 57 134 K CE 60 218 220 60 134 K NZ 53 232 217 65 134 K C 93 174 230 41 134 K O 102 183 229 40 135 Y N 95 163 236 38 135 Y CA 107 158 240 37 135 Y CB 116 156 228 38 135 Y CG 110 145 218 42 135 Y CD1 102 150 207 47 135 Y CE1 97 140 199 48 135 Y CZ 98 127 201 46 135 Y OH 93 117 193 51 135 Y CE2 106 122 212 47 135 Y CD2 112 132 221 41 135 Y C 115 167 250 35 135 Y O 127 168 249 37 136 S N 107 174 258 35 136 S CA 113 184 268 37 136 S CB 101 191 275 34 136 S OG 94 182 284 38 136 S C 121 176 278 37 136 S O 119 164 280 38 137 P N 131 182 285 37 137 P CA 138 176 296 34 137 P CB 145 188 303 36 137 P CG 149 197 290 39 137 P CD 136 196 281 36 137 P C 129 169 306 33 137 P O 133 159 310 32 138 C N 118 176 311 32 138 C CA 110 170 320 34 138 C CB 99 180 325 35 138 C SG 106 191 337 43 138 C C 102 157 315 34 138 C O 101 148 323 33 139 A N 98 157 302 32 139 A CA 91 145 297 30 139 A CB 85 147 283 28 139 A C 101 133 296 29 139 A O 97 122 300 30 140 W N 113 136 292 29 140 W CA 123 126 291 31 140 W CB 136 131 285 30 140 W CG 137 128 270 34 140 W CD1 138 138 260 30 140 W NE1 138 131 248 33 140 W CE2 138 117 250 34 140 W CD2 136 115 264 33 140 W CE3 136 102 269 31 140 W CZ3 136 91 260 31 140 W CH2 138 93 246 36 140 W CZ2 138 106 241 34 140 W C 127 120 305 31 140 W O 129 108 306 31 141 E N 127 129 316 30 141 E CA 130 124 329 30 141 E CB 132 136 339 28 141 E CG 133 132 354 29 141 E CD 143 120 356 31 141 E OE1 152 117 348 28 141 E OE2 141 113 366 32 141 E C 118 115 334 30 141 E O 120 105 340 30 142 V N 106 120 333 28 142 V CA 94 112 336 28 142 V CB 81 118 332 27 142 V CG1 69 108 333 27 142 V CG2 78 131 341 27 142 V C 96 97 329 28 142 V O 93 87 336 28 143 V N 100 97 317 29 143 V CA 101 84 309 28 143 V CB 102 87 293 27 143 V CG1 107 74 286 25 143 V CG2 89 92 288 25 143 V C 113 76 314 29 143 V O 111 63 316 27 144 R N 124 82 317 28 144 R CA 136 75 322 29 144 R CB 148 85 322 29 144 R CG 161 78 328 31 144 R CD 170 89 336 34 144 R NE 163 93 348 31 144 R CZ 163 85 359 29 144 R NH1 171 74 360 32 144 R NH2 156 89 369 34 144 R C 133 69 335 28 144 R O 136 57 337 27 145 A N 126 77 344 28 145 A CA 122 71 357 28 145 A CB 117 82 366 27 145 A C 112 60 356 28 145 A O 113 50 364 29 146 E N 103 61 348 29 146 E CA 93 51 345 28 146 E CB 83 56 334 29 146 E CG 75 46 327 30 146 E CD 64 39 336 33 146 E OE1 60 28 334 31 146 E OE2 60 46 346 36 146 E C 99 38 340 27 146 E O 96 27 345 26 147 I N 109 39 331 25 147 I CA 115 27 326 26 147 I CB 124 31 313 27 147 I CG1 115 35 301 31 147 I CD1 104 24 297 36 147 I CG2 132 18 309 29 147 I C 124 20 336 28 147 I O 125 8 337 29 148 M N 131 28 344 29 148 M CA 138 23 355 31 148 M CB 146 34 363 33 148 M CG 160 31 366 41 148 M SD 168 43 375 45 148 M CE 173 32 389 44 148 M C 129 14 365 30 148 M O 133 3 368 30 149 R N 117 20 368 29 149 R CA 108 12 376 30 149 R CB 97 21 381 30 149 R CG 102 34 389 34 149 R CD 91 42 397 33 149 R NE 80 46 388 37 149 R CZ 80 57 381 38 149 R NH1 89 66 382 38 149 R NH2 69 59 374 39 149 R C 102 0 369 30 149 R O 101 −11 375 30 150 S N 98 1 356 28 150 S CA 92 −10 350 30 150 S CB 83 −6 338 27 150 S OG 91 0 328 31 150 S C 102 −21 346 30 150 S O 99 −33 347 31 151 F N 114 −17 342 30 151 F CA 124 −27 339 31 151 F CB 136 −20 333 31 151 F CG 147 −30 330 33 151 F CD1 147 −38 319 37 151 F CE1 158 −47 317 39 151 F CZ 168 −48 326 36 151 F CE2 168 −39 337 37 151 F CD2 158 −31 339 36 151 F C 128 −34 352 32 151 F O 130 −46 352 31 152 S N 130 −27 363 33 152 S CA 133 −33 375 37 152 S CB 136 −23 387 36 152 S OG 139 −30 398 47 152 S C 122 −43 380 38 152 S O 125 −55 384 38 153 L N 110 −39 378 39 153 L CA 99 −48 381 43 153 L CB 86 −41 379 43 153 L CG 72 −45 386 49 153 L CD1 74 −49 400 51 153 L CD2 62 −33 385 51 153 L C 99 −61 372 43 153 L O 97 −72 376 44 154 S N 101 −59 359 43 154 S CA 99 −70 350 44 154 S CB 97 −64 336 41 154 S OG 109 −60 331 46 154 S C 111 −79 350 46 154 S O 110 −91 346 46 155 T N 122 −75 355 47 155 T CA 134 −84 357 51 155 T CB 147 −78 352 50 155 T OG1 150 −66 359 46 155 T CG2 146 −73 337 48 155 T C 135 −90 371 55 155 T O 142 −100 372 56 156 N N 129 −84 381 59 156 N CA 129 −91 394 64 156 N CB 131 −81 406 65 156 N CG 143 −71 404 71 156 N OD1 143 −60 410 75 156 N ND2 154 −75 396 75 156 N C 117 −100 396 67 156 N O 118 −110 403 68 157 A N 106 −97 389 69 157 A CA 95 −107 387 70 157 A CB 82 −100 385 70 157 A C 98 −117 376 72 157 A O 106 −127 378 73 6 A N 53 30 586 73 6 A CA 65 30 594 72 6 A CB 66 16 602 73 6 A C 78 32 585 71 6 A O 78 37 574 72 7 H N 90 27 591 70 7 H CA 103 31 587 67 7 H CB 114 28 598 68 7 H CG 126 35 596 69 7 H ND1 130 46 604 71 7 H CE1 142 50 601 70 7 H NE2 147 43 592 72 7 H CD2 137 33 589 69 7 H C 107 25 574 65 7 H O 105 13 571 65 8 S N 113 33 565 61 8 S CA 118 27 553 57 8 S CB 123 39 543 57 8 S OG 133 34 535 52 8 S C 129 17 556 55 8 S O 139 20 563 54 9 L N 128 5 551 52 9 L CA 137 −5 554 51 9 L CB 130 −19 554 52 9 L CG 119 −20 565 57 9 L CD1 112 −34 564 58 9 L CD2 124 −18 580 59 9 L C 149 −5 544 48 9 L O 160 −10 547 47 10 G N 147 0 532 44 10 G CA 158 3 523 42 10 G C 167 12 531 39 10 G O 179 10 530 38 11 S N 162 21 538 36 11 S CA 169 31 545 38 11 S CB 158 40 551 39 11 S OG 165 51 556 46 11 S C 178 25 556 39 11 S O 189 30 558 38 12 R N 172 15 564 38 12 R CA 180 9 574 39 12 R CB 172 −2 583 39 12 R CG 160 4 589 45 12 R CD 153 −5 600 55 12 R NE 145 1 611 60 12 R CZ 149 12 617 64 12 R NH1 160 19 614 69 12 R NH2 140 17 626 73 12 R C 191 1 568 37 12 R O 202 1 573 37 13 R N 188 −6 557 36 13 R CA 198 −14 550 38 13 R CB 192 −24 540 39 13 R CG 183 −34 545 46 13 R CD 177 −44 534 58 13 R NE 164 −40 529 62 13 R CZ 152 −41 537 64 13 R NH1 152 −44 550 60 13 R NH2 141 −37 531 61 13 R C 209 −6 544 38 13 R O 221 −10 543 38 14 T N 206 6 539 36 14 T CA 215 16 535 35 14 T CB 208 29 529 34 14 T OG1 199 25 518 33 14 T CG2 217 38 523 34 14 T C 226 20 546 35 14 T O 237 20 543 36 15 L N 221 23 558 35 15 L CA 230 28 568 35 15 L CB 222 33 580 35 15 L CG 216 48 577 36 15 L CD1 206 51 587 35 15 L CD2 228 58 577 35 15 L C 239 15 572 36 15 L O 250 17 576 36 16 M N 233 3 572 36 16 M CA 240 −9 576 38 16 M CB 231 −21 577 37 16 M CG 238 −34 581 43 16 M SD 243 −44 566 59 16 M CE 227 −51 559 55 16 M C 251 −12 566 38 16 M O 262 −15 571 38 17 L N 249 −11 553 37 17 L CA 259 −13 543 38 17 L CB 253 −13 529 36 17 L CG 245 −26 527 39 17 L CD1 236 −23 515 39 17 L CD2 253 −39 525 36 17 L C 270 −2 544 39 17 L O 281 −6 542 40 18 L N 266 10 547 39 18 L CA 276 20 548 41 18 L CB 271 34 551 39 18 L CG 267 42 538 41 18 L CD1 259 54 541 39 18 L CD2 279 45 530 32 18 L C 285 18 560 41 18 L O 297 20 560 41 19 A N 279 13 571 41 19 A CA 286 9 583 43 19 A CB 276 4 594 43 19 A C 296 −3 580 43 19 A O 307 −2 585 44 20 Q N 292 −12 571 44 20 Q CA 300 −24 568 45 20 Q CB 291 −34 561 45 20 Q CG 282 −43 569 50 20 Q CD 276 −54 561 62 20 Q OE1 265 −55 558 67 20 Q NE2 285 −64 556 68 20 Q C 311 −21 558 45 20 Q O 320 −29 557 44 21 M N 309 −10 550 44 21 M CA 319 −6 541 43 21 M CB 313 4 531 42 21 M CG 304 −2 520 46 21 M SD 293 10 511 50 21 M CE 304 22 511 41 21 M C 332 −1 547 41 21 M O 342 0 541 39 22 R N 330 4 560 42 22 R CA 341 11 566 43 22 R CB 338 13 580 43 22 R CG 347 23 587 43 22 R CD 343 24 601 51 22 R NE 350 34 608 58 22 R CZ 351 35 622 63 22 R NH1 346 25 629 62 22 R NH2 357 45 627 59 22 R C 354 3 567 46 22 R O 354 −9 570 45 23 R N 366 9 563 47 23 R CA 378 2 562 49 23 R CB 385 3 548 48 23 R CG 378 −5 538 52 23 R CD 380 −1 524 57 23 R NE 390 −10 517 64 23 R CZ 400 −6 510 70 23 R NH1 403 7 508 71 23 R NH2 408 −15 504 73 23 R C 388 7 573 50 23 R O 396 0 578 51 24 I N 389 20 575 51 24 I CA 398 25 585 53 24 I CB 409 33 578 53 24 I CG1 404 45 570 50 24 I CD1 414 55 566 50 24 I CG2 417 24 569 54 24 I C 390 34 594 55 24 I O 378 37 592 55 25 S N 396 38 605 58 25 S CA 390 46 615 60 25 S CB 395 42 629 61 25 S OG 388 49 639 62 25 S C 394 61 612 63 25 S O 405 63 606 61 26 L N 387 70 618 66 26 L CA 390 84 617 70 26 L CB 377 93 619 70 26 L CG 373 103 609 72 26 L CD1 378 102 595 70 26 L CD2 357 104 610 72 26 L C 401 88 627 72 26 L O 405 100 627 73 27 F N 405 79 635 74 27 F CA 418 79 643 76 27 F CB 420 64 649 77 27 F CG 433 63 656 82 27 F CD1 433 64 670 86 27 F CE1 445 62 677 88 27 F CZ 457 59 670 89 27 F CE2 457 58 656 88 27 F CD2 445 59 649 85 27 F C 430 84 635 76 27 F O 437 93 640 76 28 S N 431 79 623 75 28 S CA 443 82 614 74 28 S CB 445 71 604 75 28 S OG 434 61 606 73 28 S C 442 96 607 73 28 S O 452 101 602 72 29 C N 430 101 607 71 29 C CA 426 112 597 70 29 C CB 414 107 589 70 29 C SG 413 89 586 71 29 C C 422 126 602 70 29 C O 416 134 595 69 30 L N 427 129 615 68 30 L CA 424 142 621 68 30 L CB 432 144 634 69 30 L CG 431 135 646 73 30 L CD1 440 140 658 75 30 L CD2 416 133 650 77 30 L C 426 154 612 66 30 L O 418 164 611 65 31 A N 437 153 605 64 31 A CA 441 163 595 62 31 A CB 455 159 589 63 31 A C 431 165 583 60 31 A O 430 175 577 59 32 D N 422 155 581 57 32 D CA 413 156 570 56 32 D CB 413 143 561 56 32 D CG 427 139 556 59 32 D OD1 432 147 547 59 32 D OD2 434 130 561 61 32 D C 398 159 573 54 32 D O 390 161 565 54 33 R N 395 159 587 51 33 R CA 382 162 592 50 33 R CB 382 164 607 52 33 R CG 386 152 616 58 33 R CD 378 139 613 67 33 R NE 364 141 618 73 33 R CZ 359 137 630 77 33 R NH1 366 130 638 77 33 R NH2 346 139 633 76 33 R C 376 174 585 48 33 R O 383 184 583 45 34 H N 363 174 582 44 34 H CA 358 186 574 42 34 H CB 361 183 559 41 34 H CG 358 195 550 44 34 H ND1 368 203 546 46 34 H CE1 362 212 537 49 34 H NE2 350 209 537 44 34 H CD2 347 198 544 45 34 H C 344 187 576 39 34 H O 336 177 577 36 35 D N 340 200 577 36 35 D CA 325 203 578 37 35 D CB 323 215 589 37 35 D CG 308 217 591 38 35 D OD1 306 225 601 38 35 D OD2 299 213 584 35 35 D C 320 207 564 36 35 D O 324 218 559 34 36 F N 310 200 559 36 36 F CA 305 202 545 35 36 F CB 302 188 539 34 36 F CG 314 179 537 36 36 F CD1 318 170 546 36 36 F CE1 329 161 544 34 36 F CZ 337 163 532 30 36 F CE2 333 173 523 32 36 F CD2 322 181 525 34 36 F C 292 210 545 35 36 F O 286 212 534 33 37 G N 288 215 557 34 37 G CA 277 224 558 34 37 G C 264 217 552 34 37 G O 257 223 544 37 38 F N 261 206 557 34 38 F CA 249 198 552 34 38 F CB 248 185 559 33 38 F CG 236 177 556 35 38 F CD1 233 173 543 32 38 F CE1 222 166 539 32 38 F CZ 212 163 549 33 38 F CE2 215 166 562 32 38 F CD2 226 174 566 34 38 F C 236 207 555 34 38 F O 235 211 566 32 39 P N 228 209 545 35 39 P CA 216 217 548 37 39 P CB 212 223 535 35 39 P CG 216 212 525 35 39 P CD 229 206 531 36 39 P C 204 209 556 38 39 P O 194 206 549 37 40 Q N 206 206 568 38 40 Q CA 197 198 576 40 40 Q CB 203 193 589 42 40 Q CG 204 204 600 48 40 Q CD 209 198 613 54 40 Q OE1 221 197 615 54 40 Q NE2 200 194 622 55 40 Q C 184 205 578 40 40 Q O 173 199 579 39 41 E N 184 218 578 41 41 E CA 171 226 579 42 41 E CB 174 241 579 42 41 E CG 178 248 566 41 41 E CD 192 245 562 40 41 E OE1 200 239 570 40 41 E OE2 196 250 552 43 41 E C 162 223 568 44 41 E O 150 225 569 44 42 E N 167 218 556 43 42 E CA 158 214 545 45 42 E CB 167 209 534 45 42 E CG 164 217 522 49 42 E CD 169 232 524 55 42 E OE1 161 241 520 54 42 E OE2 179 233 530 55 42 E C 149 202 548 46 42 E O 139 199 541 46 43 F N 152 194 559 47 43 F CA 145 182 562 51 43 F CB 154 170 564 47 43 F CG 162 166 551 43 43 F CD1 174 173 548 33 43 F CE1 180 170 536 39 43 F CZ 175 160 528 36 43 F CE2 163 154 531 38 43 F CD2 157 157 542 36 43 F C 136 184 575 56 43 F O 128 175 579 57 44 G N 137 197 581 60 44 G CA 132 200 594 66 44 G C 118 204 597 70 44 G O 110 204 588 71 45 N N 115 208 610 73 45 N CA 102 211 615 76 45 N CB 101 209 630 77 45 N CG 97 195 634 80 45 N OD1 86 190 633 82 45 N ND2 107 188 640 81 45 N C 96 224 610 77 45 N O 85 228 615 78 46 Q N 103 231 601 78 46 Q CA 98 242 594 79 46 Q CB 109 251 589 80 46 Q CG 105 262 579 82 46 Q CD 117 271 574 85 46 Q OE1 129 267 576 87 46 Q NE2 114 283 569 86 46 Q C 89 236 582 79 46 Q O 81 244 576 79 47 F N 91 224 578 79 47 F CA 83 216 568 79 47 F CB 93 212 556 79 47 F CG 103 223 552 81 47 F CD1 116 223 557 80 47 F CE1 125 233 553 81 47 F CZ 121 243 544 82 47 F CE2 108 243 539 83 47 F CD2 99 233 543 83 47 F C 75 204 572 78 47 F O 79 198 583 78 48 G N 66 200 564 78 48 G CA 58 187 567 77 48 G C 60 175 558 76 48 G O 58 176 545 77 49 A N 62 163 564 74 49 A CA 66 151 557 72 49 A CB 58 139 562 72 49 A C 68 151 542 69 49 A O 79 151 536 69 50 A N 56 150 535 67 50 A CA 55 150 521 63 50 A CB 40 150 517 64 50 A C 62 162 515 60 50 A O 66 161 503 61 51 A N 63 172 522 56 51 A CA 70 184 517 52 51 A CB 69 196 527 53 51 A C 85 182 514 49 51 A O 91 188 506 49 52 T N 91 173 522 44 52 T CA 106 171 521 44 52 T CB 112 169 535 42 52 T OG1 107 158 542 43 52 T CG2 108 181 544 44 52 T C 109 158 513 42 52 T O 121 156 510 41 53 I N 99 151 507 40 53 I CA 102 140 499 38 53 I CB 88 134 493 39 53 I CG1 80 126 504 42 53 I CD1 87 116 511 49 53 I CG2 91 124 481 39 53 I C 111 144 487 36 53 I O 120 136 485 37 54 P N 109 155 480 35 54 P CA 117 158 469 34 54 P CB 112 172 464 33 54 P CG 98 172 469 35 54 P CD 98 165 482 34 54 P C 132 159 473 33 54 P O 141 156 465 32 55 V N 135 164 485 33 55 V CA 149 166 489 32 55 V CB 149 178 499 35 55 V CG1 142 175 511 37 55 V CG2 162 180 504 39 55 V C 155 153 494 31 55 V O 166 150 492 29 56 L N 147 145 501 30 56 L CA 151 131 504 30 56 L CB 141 124 513 31 56 L CG 144 109 515 35 56 L CD1 159 109 523 38 56 L CD2 133 103 524 39 56 L C 155 123 491 30 56 L O 165 116 491 29 57 H N 146 124 481 29 57 H CA 148 117 468 29 57 H CB 135 120 459 29 57 H CG 136 114 445 28 57 H ND1 142 121 435 34 57 H CE1 141 114 424 29 57 H NE2 135 102 427 29 57 H CD2 132 102 440 30 57 H C 161 122 462 29 57 H O 169 114 457 28 58 E N 163 135 462 29 58 E CA 176 140 456 29 58 E CB 177 156 456 29 58 E CG 189 162 449 30 58 E CD 188 159 434 36 58 E OE1 198 157 427 34 58 E OE2 177 159 428 34 58 E C 188 135 464 29 58 E O 198 131 458 27 59 M N 187 134 477 29 59 M CA 198 129 485 32 59 M CB 193 129 500 31 59 M CG 204 125 508 41 59 M SD 212 140 514 47 59 M CE 221 131 528 43 59 M C 201 114 481 29 59 M O 213 110 480 27 60 I N 191 106 480 27 60 I CA 193 92 475 27 60 I CB 180 84 476 29 60 I CG1 176 83 490 31 60 I CD1 161 80 492 34 60 I CG2 182 70 470 28 60 I C 200 91 462 27 60 I O 209 83 460 26 61 Q N 195 99 452 25 61 Q CA 201 98 439 26 61 Q CB 193 108 430 26 61 Q CG 200 110 415 29 61 Q CD 199 97 406 35 61 Q OE1 188 91 405 31 61 Q NE2 210 93 400 28 61 Q C 215 103 440 28 61 Q O 224 97 433 28 62 Q N 218 114 448 26 62 Q CA 232 119 448 26 62 Q CB 233 133 455 28 62 Q CG 226 144 448 29 62 Q CD 232 147 435 34 62 Q OE1 244 145 433 34 62 Q NE2 224 150 425 30 62 Q C 241 109 456 26 62 Q O 253 108 452 26 63 I N 235 102 466 26 63 I CA 243 91 472 26 63 I CB 236 86 485 26 63 I CG1 236 96 496 27 63 I CD1 227 93 508 27 63 I CG2 243 73 490 27 63 I C 247 80 462 28 63 I O 259 76 461 28 64 F N 237 77 454 28 64 F CA 241 67 443 29 64 F CB 228 64 434 28 64 F CG 232 57 421 30 64 F CD1 233 43 421 32 64 F CE1 237 37 409 27 64 F CZ 239 44 397 28 64 F CE2 238 58 397 35 64 F CD2 234 65 409 33 64 F C 251 73 433 31 64 F O 260 66 429 31 65 N N 250 86 430 29 65 N CA 260 92 420 30 65 N CB 257 107 417 28 65 N CG 244 109 409 34 65 N OD1 239 99 403 33 65 N ND2 238 121 408 31 65 N C 274 92 426 30 65 N O 284 88 420 30 66 L N 275 95 439 30 66 L CA 288 96 446 29 66 L CB 285 102 461 28 66 L CG 298 103 470 31 66 L CD1 309 111 464 32 66 L CD2 293 107 484 29 66 L C 294 82 447 31 66 L O 306 80 445 31 67 F N 286 71 450 30 67 F CA 292 58 452 30 67 F CB 285 51 464 28 67 F CG 289 56 477 31 67 F CD1 282 67 483 30 67 F CE1 285 73 495 28 67 F CZ 297 68 502 33 67 F CE2 304 57 496 34 67 F CD2 301 52 484 32 67 F C 292 49 440 31 67 F O 296 38 441 32 68 S N 288 54 428 32 68 S CA 289 46 416 34 68 S CB 275 46 409 33 68 S OG 272 59 405 33 68 S C 299 50 406 37 68 S O 299 46 395 38 69 T N 308 59 410 39 69 T CA 319 63 401 40 69 T CB 326 76 405 38 69 T OG1 332 74 418 39 69 T CG2 317 88 407 39 69 T C 330 52 401 42 69 T O 330 43 410 42 70 A N 339 53 392 43 70 A CA 351 44 392 43 70 A CB 359 46 378 45 70 A C 359 47 404 42 70 A O 365 38 410 42 71 D N 360 60 408 41 71 D CA 367 62 421 41 71 D CB 367 77 424 42 71 D CG 373 85 413 46 71 D OD1 386 83 411 50 71 D OD2 367 93 405 48 71 D C 362 55 433 41 71 D O 370 50 441 39 72 S N 348 55 434 40 72 S CA 342 47 445 38 72 S CB 327 49 444 36 72 S OG 321 42 454 38 72 S C 345 32 444 39 72 S O 347 25 455 37 73 S N 345 27 432 39 73 S CA 348 13 429 44 73 S CB 347 10 414 44 73 S OG 333 9 411 50 73 S C 362 9 434 43 73 S O 364 −3 439 42 74 A N 372 18 434 44 74 A CA 386 15 438 45 74 A CB 395 25 431 45 74 A C 387 17 453 46 74 A O 397 15 459 47 75 A N 376 21 459 44 75 A CA 377 25 473 42 75 A CB 372 39 475 42 75 A C 370 16 483 41 75 A O 374 15 494 41 76 W N 360 9 478 41 76 W CA 351 1 487 41 76 W CB 337 8 489 40 76 W CG 338 23 492 36 76 W CD1 335 34 484 33 76 W NE1 337 45 491 32 76 W CE2 342 42 504 36 76 W CD2 342 28 505 35 76 W CE3 347 22 517 36 76 W CZ3 350 30 528 34 76 W CH2 349 44 527 38 76 W CZ2 345 50 515 34 76 W C 348 −12 481 42 76 W O 349 −15 469 41 77 D N 345 −21 490 43 77 D CA 341 −35 486 45 77 D CB 336 −43 497 45 77 D CG 334 −57 493 51 77 D OD1 323 −61 491 52 77 D OD2 344 −66 492 54 77 D C 330 −36 475 47 77 D O 319 −30 476 46 78 E N 334 −43 464 48 78 E CA 325 −44 452 50 78 E CB 333 −52 441 50 78 E CG 324 −60 432 59 78 E CD 332 −67 420 68 78 E OE1 328 −64 409 70 78 E OE2 341 −75 423 70 78 E C 312 −51 455 48 78 E O 302 −47 450 48 79 T N 312 −60 465 47 79 T CA 300 −67 468 46 79 T CB 303 −81 475 47 79 T OG1 311 −89 466 50 79 T CG2 290 −89 475 46 79 T C 290 −58 476 45 79 T O 278 −59 473 42 80 L N 296 −51 485 42 80 L CA 288 −42 493 43 80 L CB 296 −37 506 42 80 L CG 301 −47 517 45 80 L CD1 311 −40 527 43 80 L CD2 290 −54 524 46 80 L C 282 −31 485 41 80 L O 270 −28 486 42 81 L N 290 −25 476 40 81 L CA 285 −15 466 41 81 L CB 297 −10 457 39 81 L CG 307 −1 464 39 81 L CD1 318 2 453 38 81 L CD2 301 12 469 33 81 L C 273 −20 458 41 81 L O 263 −13 457 40 82 D N 275 −32 452 42 82 D CA 264 −37 444 42 82 D CB 268 −51 438 44 82 D CG 256 −57 431 47 82 D OD1 253 −52 421 52 82 D OD2 249 −67 436 53 82 D C 251 −38 452 42 82 D O 241 −34 447 43 83 K N 252 −44 464 41 83 K CA 241 −44 473 41 83 K CB 245 −50 486 41 83 K CG 247 −65 485 48 83 K CD 249 −72 499 54 83 K CE 255 −86 498 60 83 K NZ 265 −88 510 65 83 K C 235 −29 477 39 83 K O 223 −28 480 38 84 F N 245 −20 478 36 84 F CA 242 −6 482 35 84 F CB 255 1 484 33 84 F CG 254 15 490 33 84 F CD1 249 16 503 29 84 F CE1 248 9 508 33 84 F CZ 253 40 502 27 84 F CE2 258 39 489 26 84 F CD2 259 27 483 31 84 F C 233 0 470 34 84 F O 223 6 473 35 85 Y N 238 −2 458 34 85 Y CA 230 4 446 35 85 Y CB 236 0 433 34 85 Y CG 250 4 432 36 85 Y CD1 255 15 439 31 85 Y CE1 268 19 438 33 85 Y CZ 277 114 29 38 85 Y OH 290 15 429 38 85 Y CE2 272 0 422 40 85 Y CD2 259 −3 423 37 85 Y C 216 −2 446 37 85 Y O 206 6 444 36 86 T N 215 −15 448 37 86 T CA 201 −21 450 40 86 T CB 203 −36 452 39 86 T OG1 207 −42 440 43 86 T CG2 189 −43 455 43 86 T C 192 −14 459 38 86 T O 180 −11 456 38 87 E N 196 −12 471 36 87 E CA 188 −4 481 36 87 E CB 194 −4 495 37 87 E CG 198 −18 500 40 87 E CD 186 −26 503 46 87 E OE1 175 −20 504 44 87 E OE2 187 −38 504 48 87 E C 185 10 477 34 87 E O 174 15 480 33 88 L N 194 17 470 33 88 L CA 191 31 466 32 88 L CB 204 38 461 30 88 L CG 215 38 473 27 88 L CD1 228 43 466 25 88 L CD2 211 48 484 28 88 L C 181 31 455 33 88 L O 171 39 456 32 89 Y N 182 22 445 33 89 Y CA 171 21 434 35 89 Y CB 173 9 424 34 89 Y CG 187 9 417 33 89 Y CD1 194 20 414 35 89 Y CE1 207 19 408 36 89 Y CZ 213 7 405 33 89 Y OH 225 6 400 33 89 Y CE2 206 −5 409 35 89 Y CD2 193 −4 415 34 89 Y C 157 18 440 36 89 Y O 147 24 435 37 90 Q N 157 9 450 36 90 Q CA 144 6 456 39 90 Q CB 145 −6 465 39 90 Q CG 132 −15 468 48 90 Q CD 121 −15 456 56 90 Q OE1 124 −19 445 59 90 Q NE2 110 −9 459 55 90 Q C 138 18 463 36 90 Q O 125 20 462 36 91 Q N 146 26 471 35 91 Q CA 141 38 477 34 91 Q CB 151 44 486 35 91 Q CG 154 35 498 33 91 Q CD 165 40 507 35 91 Q OE1 163 48 516 33 91 Q NE2 177 35 504 34 91 Q C 136 49 467 34 91 Q O 126 55 469 35 92 L N 143 50 456 32 92 L CA 139 60 446 33 92 L CB 149 61 435 32 92 L CG 163 67 439 34 92 L CD1 172 66 427 34 92 L CD2 163 82 443 28 92 L C 125 56 440 36 92 L O 116 64 438 34 93 N N 125 43 436 38 93 N CA 114 36 431 41 93 N CB 117 21 430 41 93 N CG 107 14 422 50 93 N OD1 96 13 425 53 93 N ND2 112 9 411 57 93 N C 101 39 440 42 93 N O 91 44 435 42 94 D N 102 36 453 42 94 D CA 92 38 462 43 94 D CB 96 33 476 44 94 D CG 97 18 478 49 94 D OD1 94 10 468 51 94 D OD2 101 13 488 53 94 D C 87 52 463 44 94 D O 75 55 462 45 95 L N 96 62 464 44 95 L CA 93 76 464 43 95 L CB 105 85 467 43 95 L CG 111 82 481 43 95 L CD1 124 89 484 41 95 L CD2 101 85 492 45 95 L C 86 81 451 43 95 L O 76 88 452 45 96 E N 91 77 440 43 96 E CA 84 80 427 43 96 E CB 93 76 416 42 96 E CG 106 84 416 40 96 E CD 117 78 407 38 96 E OE1 113 68 400 38 96 E OE2 128 82 408 38 96 E C 70 73 425 46 96 E O 61 80 421 44 97 A N 70 60 427 48 97 A CA 57 53 426 50 97 A CB 58 38 429 49 97 A C 46 60 434 51 97 A O 35 61 428 51 98 C N 48 64 446 53 98 C CA 38 72 453 56 98 C CB 42 76 467 56 98 C SG 42 61 477 64 98 C C 32 84 446 56 98 C O 20 87 447 56 99 V N 41 93 441 57 99 V CA 37 105 434 59 99 V CB 50 114 432 59 99 V CG1 45 127 427 62 99 V CG2 58 115 445 63 99 V C 30 103 421 59 99 V O 21 110 418 58 100 I N 34 92 414 59 100 I CA 27 89 401 60 100 I CB 35 80 392 61 100 I CG1 49 87 388 60 100 I CD1 48 97 376 64 100 I CG2 28 74 380 59 100 I C 12 84 404 61 100 I O 3 85 396 62 101 Q N 11 77 416 63 101 Q CA −2 73 421 64 101 Q CB 0 62 432 64 101 Q CG 2 48 426 69 101 Q CD 10 39 435 76 101 Q OE1 9 41 448 78 101 Q NE2 18 29 430 76 101 Q C −10 84 428 64 101 Q O −21 82 433 64 102 G N −5 96 428 66 102 G CA −12 108 434 67 102 G C −9 109 449 69 102 G O −14 119 456 69 103 V N −1 100 455 70 103 V CA 2 100 470 71 103 V CB 5 85 475 71 103 V CG1 8 85 490 72 103 V CG2 −7 76 471 72 103 V C 14 109 473 71 103 V O 13 120 475 71 111 A N 68 236 456 64 111 A CA 80 241 448 63 111 A CB 77 256 442 64 111 A C 92 242 457 62 111 A O 94 251 465 63 112 K N 101 232 455 59 112 K CA 113 229 462 55 112 K CB 112 215 469 55 112 K CG 101 214 479 58 112 K CD 104 222 492 65 112 K CE 91 225 499 71 112 K NZ 93 237 509 78 112 K C 126 229 454 51 112 K O 135 223 458 50 113 E N 126 237 443 46 113 E CA 137 237 434 46 113 E CB 135 247 423 46 113 E CG 128 242 410 56 113 E CD 132 228 406 60 113 E OE1 143 226 400 64 113 E OE2 125 218 410 65 113 E C 150 241 441 45 113 E O 161 235 438 41 114 D N 150 251 450 42 114 D CA 162 256 456 42 114 D CB 159 270 463 42 114 D CG 157 281 452 49 114 D OD1 149 291 455 53 114 D OD2 162 281 440 54 114 D C 167 247 467 39 114 D O 178 246 469 39 115 S N 158 240 474 37 115 S CA 161 230 483 38 115 S CB 149 225 491 36 115 S OG 146 235 500 46 115 S C 168 218 476 37 115 S O 177 213 481 33 116 I N 162 214 464 35 116 I CA 168 204 456 35 116 I CB 160 200 444 35 116 I CG1 148 191 449 37 116 I CD1 137 190 438 38 116 I CG2 168 193 433 33 116 I C 182 208 452 35 116 I O 192 200 454 34 117 L N 184 220 447 35 117 L CA 197 225 444 36 117 L CB 197 239 438 38 117 L CG 190 240 424 48 117 L CD1 193 253 417 52 117 L CD2 194 228 414 52 117 L C 207 225 456 34 117 L O 219 223 454 33 118 A N 202 229 468 34 118 A CA 210 229 480 32 118 A CB 202 234 492 33 118 A C 216 215 483 33 118 A O 228 214 486 30 119 V N 208 205 481 32 119 V CA 213 191 483 32 119 V CB 201 181 482 34 119 V CG1 207 167 482 35 119 V CG2 193 182 494 34 119 V C 224 188 473 32 119 V O 235 182 476 29 120 R N 222 192 460 31 120 R CA 231 190 450 34 120 R CB 227 195 436 34 120 R CG 218 185 429 37 120 R CD 215 188 414 35 120 R NE 202 181 412 39 120 R CZ 192 185 405 40 120 R NH1 193 196 398 39 120 R NH2 181 178 404 40 120 R C 244 197 453 34 120 R O 255 191 450 35 121 K N 244 209 457 33 121 K CA 256 217 461 34 121 K CB 252 231 464 34 121 K CG 249 239 451 39 121 K CD 247 253 455 46 121 K CE 239 262 444 51 121 K NZ 249 267 435 54 121 K C 264 211 472 32 121 K O 276 211 472 33 122 Y N 257 205 482 32 122 Y CA 264 197 493 30 122 Y CB 253 192 502 29 122 Y CG 257 181 512 29 122 Y CD1 252 169 510 29 122 Y CE1 255 158 519 32 122 Y CZ 264 161 530 27 122 Y OH 266 150 538 28 122 Y CE2 269 174 532 27 122 Y CD2 266 184 523 28 122 Y C 272 186 487 28 122 Y O 283 184 491 27 123 F N 266 179 478 29 123 F CA 274 168 471 29 123 F CB 265 157 464 28 123 F CG 258 148 473 28 123 F CD1 264 136 477 25 123 F CE1 258 128 486 29 123 F CZ 246 131 492 29 123 F CE2 240 143 489 26 123 F CD2 246 152 480 26 123 F C 285 173 462 29 123 F O 295 166 461 29 124 Q N 283 184 456 30 124 Q CA 294 191 449 30 124 Q CB 289 204 442 30 124 Q CG 281 201 429 38 124 Q CD 274 213 424 47 124 Q OE1 273 223 430 50 124 Q NE2 268 211 412 51 124 Q C 306 194 458 31 124 Q O 317 191 455 30 125 R N 302 199 470 31 125 R CA 313 201 480 32 125 R CB 308 208 493 31 125 R CG 303 222 489 34 125 R CD 300 231 502 31 125 R NE 288 226 510 33 125 R CZ 276 229 507 28 125 R NH1 272 236 497 34 125 R NH2 266 225 516 30 125 R C 320 188 484 32 125 R O 332 188 486 32 126 I N 312 177 485 33 126 I CA 319 164 489 32 126 I CB 308 153 491 32 126 I CG1 300 156 505 31 126 I CD1 290 146 508 29 126 I CG2 314 139 490 31 126 I C 328 160 477 34 126 I O 339 155 480 32 127 T N 324 161 465 36 127 T CA 332 157 453 38 127 T CB 323 157 441 38 127 T OG1 315 145 441 43 127 T CG2 332 154 428 42 127 T C 344 166 451 38 127 T O 355 161 448 38 128 L N 343 179 454 39 128 L CA 355 188 454 41 128 L CB 351 203 456 40 128 L CG 344 210 444 47 128 L CD1 337 223 449 49 128 L CD2 355 213 433 45 128 L C 365 184 464 39 128 L O 377 185 462 40 129 Y N 359 181 476 39 129 Y CA 368 176 487 38 129 Y CB 360 175 500 35 129 Y CG 367 167 511 37 129 Y CD1 374 174 521 36 129 Y CE1 380 167 532 36 129 Y CZ 380 153 532 34 129 Y OH 386 146 542 35 129 Y CE2 373 146 522 34 129 Y CD2 367 153 511 28 129 Y C 375 164 484 38 129 Y O 387 163 486 40 130 L N 369 154 478 38 130 L CA 376 142 474 39 130 L CB 366 131 469 38 130 L CG 357 124 479 39 130 L CD1 346 116 471 31 130 L CD2 365 114 488 32 130 L C 387 145 463 40 130 L O 398 139 463 41 131 K N 383 153 453 42 131 K CA 393 157 443 46 131 K CB 386 166 432 46 131 K CG 378 158 423 47 131 K CD 368 168 415 52 131 K CE 361 160 404 54 131 K NZ 352 170 395 54 131 K C 405 164 449 46 131 K O 417 160 446 47 132 E N 403 174 457 48 132 E CA 414 181 464 50 132 E CB 409 191 474 51 132 E CG 404 204 469 56 132 E CD 396 212 479 64 132 E OE1 403 217 489 67 132 E OE2 383 213 478 66 132 E C 423 171 472 49 132 E O 435 172 471 50 133 K N 417 161 479 47 133 K CA 424 152 486 45 133 K CB 416 147 498 46 133 K CG 410 157 507 47 133 K CD 421 164 515 52 133 K CE 416 172 526 52 133 K NZ 427 174 537 55 133 K C 429 140 478 45 133 K O 435 131 484 44 134 K N 427 140 465 45 134 K CA 430 129 456 47 134 K CB 446 129 454 49 134 K CG 451 142 447 51 134 K CD 466 142 446 61 134 K CE 471 134 433 66 134 K NZ 486 133 432 70 134 K C 425 116 461 46 134 K O 433 106 460 45 135 Y N 413 115 466 45 135 Y CA 406 103 469 44 135 Y CB 403 95 456 43 135 Y CG 393 103 447 43 135 Y CD1 379 103 449 40 135 Y CE1 371 111 440 42 135 Y CZ 377 118 430 46 135 Y OH 369 126 421 48 135 Y CE2 391 118 428 43 135 Y CD2 399 111 436 45 135 Y C 414 94 478 44 135 Y O 413 82 477 43 136 S N 421 99 487 44 136 S CA 428 92 498 45 136 S CB 437 101 506 44 136 S OG 429 109 515 47 136 S C 419 83 507 46 136 S O 408 87 509 46 137 P N 424 72 512 47 137 P CA 417 64 521 45 137 P CB 428 54 527 45 137 P CG 437 51 514 45 137 P CD 438 66 509 47 137 P C 411 72 533 45 137 P O 399 69 536 44 138 C N 418 81 538 43 138 C CA 413 91 548 43 138 C CB 424 100 553 44 138 C SG 434 90 565 55 138 C C 401 100 543 41 138 C O 392 102 550 41 139 A N 403 105 531 37 139 A CA 393 114 525 37 139 A CB 397 120 512 36 139 A C 380 106 524 36 139 A O 369 111 527 36 140 W N 381 94 519 35 140 W CA 370 85 517 36 140 W CB 374 72 509 34 140 W CG 371 74 494 36 140 W CD1 380 73 483 36 140 W NE1 374 75 471 38 140 W CE2 361 77 473 37 140 W CD2 359 76 487 37 140 W CE3 346 78 492 35 140 W CZ3 335 80 483 33 140 W CH2 337 81 470 38 140 W CZ2 350 79 464 39 140 W C 363 81 530 36 140 W O 351 80 531 35 141 E N 371 81 541 34 141 E CA 365 77 553 35 141 E CB 376 71 564 35 141 E CG 370 69 577 37 141 E CD 357 60 578 41 141 E OE1 355 52 569 41 141 E OE2 350 61 588 42 141 E C 358 89 559 35 141 E O 347 87 565 34 142 V N 364 101 558 34 142 V CA 357 113 562 35 142 V CB 365 125 560 35 142 V CG1 357 138 561 36 142 V CG2 378 126 569 37 142 V C 343 113 555 35 142 V O 333 116 561 34 143 V N 344 110 542 33 143 V CA 332 111 533 31 143 V CB 335 111 518 30 143 V CG1 321 110 510 26 143 V CG2 341 124 513 28 143 V C 321 100 537 33 143 V O 310 103 539 32 144 R N 326 88 539 32 144 R CA 317 77 543 34 144 R CB 324 64 545 34 144 R CG 315 51 547 34 144 R CD 323 40 555 33 144 R NE 327 45 567 35 144 R CZ 319 46 578 42 144 R NH1 306 42 576 35 144 R NH2 323 52 589 44 144 R C 309 80 556 36 144 R O 297 78 558 34 145 A N 317 85 566 35 145 A CA 312 89 579 34 145 A CB 323 93 589 34 145 A C 302 101 577 33 145 A O 292 102 584 33 146 E N 306 110 569 32 146 E CA 297 122 567 32 146 E CB 304 132 558 33 146 E CG 295 143 552 33 146 E CD 289 153 563 36 146 E OE1 278 159 561 34 146 E OE2 295 154 574 40 146 E C 283 117 561 31 146 E O 273 122 566 31 147 I N 283 109 551 30 147 I CA 271 104 545 30 147 I CB 274 96 532 30 147 I CG1 281 105 522 31 147 I CD1 272 119 519 33 147 I CG2 260 88 527 28 147 I C 262 96 555 30 147 I O 250 97 555 30 148 M N 269 87 563 31 148 M CA 261 80 573 33 148 M CB 270 71 581 37 148 M CG 267 56 577 45 148 M SD 273 46 589 60 148 M CE 258 41 598 56 148 M C 254 90 582 34 148 M O 242 88 585 33 149 R N 261 100 586 33 149 R CA 256 110 595 35 149 R CB 267 120 600 36 149 R CG 262 131 610 41 149 R CD 273 143 611 49 149 R NE 273 150 598 51 149 R CZ 265 160 595 54 149 R NH1 256 164 603 56 149 R NH2 266 165 582 48 149 R C 245 119 588 34 149 R O 234 120 594 34 150 S N 247 124 577 31 150 S CA 237 132 571 31 150 S CB 243 141 559 31 150 S OG 247 133 548 29 150 S C 225 124 566 32 150 S O 214 129 566 31 151 F N 227 112 560 31 151 F CA 216 104 555 33 151 F CB 221 92 547 31 151 F CG 210 83 542 34 151 F CD1 201 88 532 33 151 F CE1 191 81 527 35 151 F CZ 188 68 532 33 151 F CE2 196 63 542 36 151 F CD2 207 71 547 34 151 F C 207 100 567 35 151 F O 195 100 566 35 152 S N 214 96 578 36 152 S CA 207 93 590 40 152 S CB 217 88 600 41 152 S OG 210 83 611 48 152 S C 198 105 595 42 152 S O 186 104 597 42 153 L N 205 116 595 42 153 L CA 198 129 598 46 153 L CB 207 141 597 46 153 L CG 207 153 606 48 153 L CD1 204 149 621 48 153 L CD2 220 160 605 48 153 L C 186 132 589 46 153 L O 176 135 594 48 154 S N 188 131 576 46 154 S CA 177 133 566 47 154 S CB 183 130 552 46 154 S OG 192 139 550 53 154 S C 166 123 568 47 154 S O 155 126 563 46 155 T N 168 111 572 45 155 T CA 157 101 572 49 155 T CB 162 87 570 49 155 T OG1 174 85 578 51 155 T CG2 166 84 556 48 155 T C 150 102 585 51 155 T O 138 101 585 51 156 N N 156 105 596 53 156 N CA 150 107 609 57 156 N CB 161 107 620 56 156 N CG 167 93 622 61 156 N OD1 176 91 629 68 156 N ND2 161 83 615 63 156 N C 142 119 610 60 156 N O 131 118 614 59 157 L N 147 130 604 62 157 L CA 139 143 603 64 157 L CB 148 155 600 63 157 L CG 158 160 610 61 157 L CD1 169 168 603 57 157 L CD2 151 168 621 62 157 L C 127 141 593 65 157 L O 116 146 596 66 158 Q N 130 135 581 67 158 Q CA 119 134 571 69 158 Q CB 124 128 558 69 158 Q CG 114 127 545 69 158 Q CD 103 116 546 70 158 Q OE1 92 118 541 70 158 Q NE2 107 105 552 67 158 Q C 106 127 576 71 158 Q O 95 130 571 71 159 E N 108 119 586 73 159 E CA 97 110 590 75 159 E CB 101 96 591 75 159 E CG 110 92 603 76 159 E CD 112 78 604 79 159 E OE1 123 73 607 81 159 E OE2 102 70 603 79 159 E C 88 114 602 76 159 E O 77 109 604 76 160 S N 93 124 610 77 160 S CA 85 132 620 78 160 S CB 92 132 633 78 160 S OG 105 135 632 78 160 S C 81 146 616 78 160 S O 76 154 623 79 160 S OXT 83 151 605 77 7 H N 176 473 515 80 7 H CA 182 461 509 80 7 H CB 175 448 514 80 7 H CG 173 447 529 80 7 H ND1 184 450 538 79 7 H CE1 179 448 550 78 7 H NE2 166 445 550 78 7 H CD2 162 445 536 78 7 H C 183 461 494 80 7 H O 189 452 488 80 8 A N 176 471 488 80 8 A CA 177 473 473 79 8 A CB 165 481 468 79 8 A C 190 480 470 77 8 A O 198 475 462 78 9 A N 192 493 475 76 9 A CA 204 500 471 74 9 A CB 200 513 464 74 9 A C 214 504 483 72 9 A O 224 510 481 72 10 G N 210 500 495 70 10 G CA 219 499 507 66 10 G C 228 488 505 62 10 G O 240 488 509 62 11 A N 223 478 499 60 11 A CA 231 466 494 58 11 A CB 222 457 487 57 11 A C 243 471 485 56 11 A O 254 466 487 56 12 R N 240 481 476 53 12 R CA 250 485 467 51 12 R CB 243 495 456 53 12 R CG 237 487 444 57 12 R CD 239 494 431 63 12 R NE 245 486 420 68 12 R CZ 253 490 410 70 12 R NH1 256 503 409 70 12 R NH2 258 481 402 71 12 R C 262 492 472 49 12 R O 273 488 468 47 13 A N 260 501 482 45 13 A CA 272 508 487 43 13 A CB 268 520 497 44 13 A C 280 498 495 41 13 A O 292 499 496 40 14 T N 273 488 501 40 14 T CA 280 478 510 40 14 T CB 270 468 516 40 14 T OG1 260 476 523 42 14 T CG2 277 459 527 39 14 T C 290 469 501 40 14 T O 301 467 505 38 15 L N 284 464 490 42 15 L CA 291 457 480 44 15 L CB 282 452 469 45 15 L CG 272 442 474 49 15 L CD1 262 439 464 49 15 L CD2 280 429 477 55 15 L C 303 464 474 44 15 L O 314 459 473 43 16 M N 301 477 472 43 16 M CA 312 485 467 41 16 M CB 307 500 464 42 16 M CG 319 510 462 46 16 M SD 314 526 452 54 16 M CE 303 519 440 53 16 M C 323 486 477 41 16 M O 335 487 474 38 17 L N 320 488 490 39 17 L CA 331 489 500 40 17 L CB 326 494 514 40 17 L CG 320 508 513 41 17 L CD1 309 510 525 41 17 L CD2 330 519 514 37 17 L C 338 477 502 37 17 L O 351 477 504 38 18 L N 331 466 501 36 18 L CA 337 452 502 36 18 L CB 326 442 502 36 18 L CG 320 437 516 38 18 L CD1 308 429 513 37 18 L CD2 332 429 524 37 18 L C 346 450 491 36 18 L O 357 444 493 37 19 A N 342 454 479 35 19 A CA 351 453 467 36 19 A CB 343 457 454 35 19 A C 363 461 469 36 19 A O 374 457 466 38 20 Q N 362 473 474 36 20 Q CA 373 482 476 36 20 Q CB 368 496 478 37 20 Q CG 362 503 466 37 20 Q CD 356 517 470 44 20 Q OE1 352 519 482 45 20 Q NE2 355 526 461 41 20 Q C 382 478 487 38 20 Q O 393 483 488 39 21 M N 377 470 496 37 21 M CA 386 465 507 38 21 M CB 377 459 519 37 21 M CG 370 470 527 40 21 M SD 356 462 537 46 21 M CE 365 451 545 42 21 M C 396 455 503 37 21 M O 406 453 510 38 22 R N 394 449 491 37 22 R CA 403 439 485 38 22 R CB 398 435 472 39 22 R CG 404 423 465 41 22 R CD 416 426 456 36 22 R NE 418 416 445 41 22 R CZ 427 418 436 36 22 R NH1 435 429 436 34 22 R NH2 429 409 427 36 22 R C 418 444 485 41 22 R O 421 455 480 39 23 R N 427 436 491 40 23 R CA 441 439 491 42 23 R CB 446 438 506 43 23 R CG 440 448 515 50 23 R CD 444 447 529 58 23 R NE 456 456 532 65 23 R CZ 466 452 539 71 23 R NH1 467 440 544 72 23 R NH2 477 461 540 73 23 R C 450 430 483 42 23 R O 460 434 477 43 24 I N 446 417 482 40 24 I CA 454 407 474 38 24 I CB 462 398 483 38 24 I CG1 454 390 492 38 24 I CD1 462 379 500 43 24 I CG2 474 406 490 37 24 I C 444 399 466 39 24 I O 432 399 468 38 25 S N 450 391 457 37 25 S CA 443 383 448 37 25 S CB 450 381 435 36 25 S OG 441 374 426 34 25 S C 439 370 454 38 25 S O 447 362 459 39 26 L N 426 366 452 38 26 L CA 421 353 454 40 26 L CB 408 353 447 42 26 L CG 398 342 450 49 26 L CD1 388 347 459 54 26 L CD2 392 338 436 53 26 L C 430 342 447 39 26 L O 432 331 453 37 27 F N 434 345 435 38 27 F CA 443 337 427 39 27 F CB 443 342 412 37 27 F CG 430 339 405 35 27 F CD1 427 326 400 37 27 F CE1 415 323 394 37 27 F CZ 406 334 393 35 27 F CE2 409 347 398 31 27 F CD2 420 349 404 30 27 F C 457 335 433 40 27 F O 464 326 429 42 28 S N 460 344 442 40 28 S CA 473 342 449 42 28 S CB 479 355 454 42 28 S OG 481 363 443 43 28 S C 470 333 462 42 28 S O 480 331 470 41 29 C N 457 328 464 40 29 C CA 453 322 477 41 29 C CB 444 331 484 41 29 C SG 452 347 488 45 29 C C 447 309 474 41 29 C O 438 304 482 40 30 L N 450 302 463 40 30 L CA 443 290 459 41 30 L CB 447 286 445 42 30 L CG 443 295 433 44 30 L CD1 449 287 421 50 30 L CD2 429 296 432 46 30 L C 446 279 469 41 30 L O 437 271 471 40 31 K N 457 279 476 42 31 K CA 459 269 486 44 31 K CB 474 269 492 44 31 K CG 476 282 500 46 31 K CD 491 283 506 51 31 K CE 492 294 517 52 31 K NZ 486 308 513 47 31 K C 449 270 498 43 31 K O 447 260 505 44 32 D N 443 282 499 41 32 D CA 433 285 510 41 32 D CB 436 298 516 41 32 D CG 450 298 522 46 32 D OD1 453 290 531 45 32 D OD2 459 306 517 50 32 D C 419 284 506 40 32 D O 410 288 513 37 33 R N 416 280 494 39 33 R CA 403 278 488 40 33 R CB 403 270 475 41 33 R CG 391 271 466 45 33 R CD 388 260 455 47 33 R NE 383 248 461 54 33 R CZ 371 245 464 56 33 R NH1 361 254 463 53 33 R NH2 368 234 470 56 33 R C 394 270 497 39 33 R O 398 260 502 37 34 H N 382 274 499 38 34 H CA 373 267 509 37 34 H CB 375 273 523 37 34 H CG 369 265 534 39 34 H ND1 376 254 539 41 34 H CE1 368 248 548 41 34 H NE2 356 253 547 39 34 H CD2 357 264 538 34 34 H C 359 268 504 37 34 H O 355 279 500 37 35 D N 351 258 504 38 35 D CA 337 259 502 38 35 D CB 331 246 495 39 35 D CG 337 244 482 47 35 D OD1 342 233 479 50 35 D OD2 337 254 474 56 35 D C 329 259 516 36 35 D O 329 249 523 36 36 F N 322 270 518 35 36 F CA 316 272 531 34 36 F CB 317 287 535 32 36 F CG 331 292 538 33 36 F CD1 338 299 529 30 36 F CE1 351 303 532 34 36 F CZ 357 300 544 32 36 F CE2 350 293 553 31 36 F CD2 337 289 551 31 36 F C 302 268 531 33 36 F O 295 268 542 34 37 G N 296 265 520 32 37 G CA 282 260 519 32 37 G C 272 270 524 34 37 G O 263 267 532 34 38 F N 272 282 518 34 38 F CA 262 292 521 36 38 F CB 265 305 513 35 38 F CG 255 316 516 38 38 F CD1 254 322 529 40 38 F CE1 245 332 531 42 38 F CZ 238 337 520 42 38 F CE2 239 332 508 38 F CD2 248 322 505 42 38 F C 248 288 518 37 38 F O 245 284 507 38 39 P N 239 289 528 39 39 P CA 225 284 525 39 39 P CB 219 282 539 40 39 P CG 227 292 548 38 39 P CD 241 292 542 37 39 P C 217 294 517 38 39 P O 208 300 522 40 40 Q N 220 296 505 39 40 Q CA 214 306 496 42 40 Q CB 222 307 483 43 40 Q CG 221 295 475 48 40 Q CD 227 296 461 53 40 Q OE1 239 297 459 54 40 Q NE2 218 298 451 55 40 Q C 199 303 494 44 40 Q O 191 313 491 44 41 E N 194 291 496 44 41 E CA 180 287 493 45 41 E CB 178 272 494 43 41 E CG 181 266 507 44 41 E CD 196 264 511 41 41 E OE1 205 268 503 39 41 E OE2 199 258 521 39 41 E C 171 294 504 47 41 E O 159 295 502 47 42 E N 177 298 515 48 42 E CA 170 305 525 50 42 E CB 179 306 538 51 42 E CG 175 298 550 52 42 E CD 175 283 548 53 42 E OE1 185 279 542 57 42 E OE2 166 276 552 55 42 E C 164 319 521 52 42 E O 156 325 528 54 43 F N 170 325 510 54 43 F CA 168 339 506 56 43 F CB 181 346 505 54 43 F CG 189 347 518 51 43 F CD1 199 337 521 51 43 F CE1 206 338 533 51 43 F CZ 203 347 543 52 43 F CE2 193 357 540 51 43 F CD2 186 356 528 51 43 F C 162 339 491 60 43 F O 163 349 484 59 44 G N 156 328 487 63 44 G CA 151 326 474 67 44 G C 135 325 473 69 44 G O 128 327 483 69 45 N N 130 322 461 73 45 N CA 116 323 459 75 45 N CB 113 325 444 76 45 N CG 120 337 438 79 45 N OD1 120 348 443 81 45 N ND2 125 334 426 82 45 N C 107 312 465 76 45 N O 95 312 463 76 46 Q N 113 304 473 77 46 Q CA 105 293 480 78 46 Q CB 114 282 485 78 46 Q CG 118 272 475 78 46 Q CD 127 261 481 76 46 Q OE1 134 254 473 73 46 Q NE2 128 259 494 76 46 Q C 98 300 491 80 46 Q O 89 294 497 80 47 F N 102 312 495 81 47 F CA 98 319 507 82 47 F CB 109 321 517 82 47 F CG 115 308 521 84 47 F CD1 109 300 531 86 47 F CE1 115 287 535 87 47 F CZ 127 283 529 87 47 F CE2 133 291 519 86 47 F CD2 127 303 515 84 47 F C 91 333 504 83 47 F O 96 340 495 82 48 G N 80 335 511 84 48 G CA 73 348 511 85 48 G C 79 361 505 86 48 G O 76 366 495 86 49 A N 89 366 513 85 49 A CA 96 379 511 84 49 A CB 90 388 499 85 49 A C 95 387 524 84 49 A O 103 396 527 84 50 A N 85 384 532 83 50 A CA 84 388 546 82 50 A CB 69 391 549 82 50 A C 89 377 555 80 50 A O 92 379 567 80 51 E N 89 365 549 79 51 E CA 95 353 556 78 51 E CB 91 340 547 79 51 E CG 77 335 550 83 51 E CD 76 320 546 88 51 E OE1 74 312 556 89 51 E OE2 77 317 534 88 51 E C 110 353 557 75 51 E O 116 348 566 74 52 T N 117 359 546 72 52 T CA 131 359 546 69 52 T CB 136 360 531 69 52 T OG1 131 372 525 71 52 T CG2 130 349 523 69 52 T C 137 371 554 67 52 T O 148 369 559 66 53 I N 130 382 555 63 53 I CA 134 393 564 60 53 I CB 122 403 568 61 53 I CG1 117 411 556 61 53 I CD1 128 414 545 64 53 I CG2 125 412 580 61 53 I C 142 389 577 57 53 I O 153 394 578 58 54 P N 137 381 586 55 54 P CA 144 378 598 53 54 P CB 135 368 605 53 54 P CG 121 370 599 54 54 P CD 123 375 585 54 54 P C 158 370 596 52 54 P O 167 370 605 49 55 V N 159 363 585 49 55 V CA 171 355 581 48 55 V CB 168 343 572 48 55 V CG1 167 347 558 45 55 V CG2 178 332 574 50 55 V C 181 365 575 47 55 V O 193 365 578 46 56 L N 176 374 567 47 56 L CA 184 384 561 49 56 L CB 175 392 551 49 56 L CG 180 405 545 53 56 L CD1 194 403 538 58 56 L CD2 169 408 535 59 56 L C 189 394 572 49 56 L O 201 398 572 49 57 H N 181 396 582 48 57 H CA 185 403 594 48 57 H CB 173 408 603 48 57 H CG 166 420 596 52 57 H ND1 156 427 603 55 57 H CE1 151 436 595 54 57 H NE2 158 436 583 57 57 H CD2 167 426 584 55 57 H C 196 396 603 47 57 H O 204 403 608 45 58 E N 195 383 605 44 58 E CA 206 375 610 44 58 E CB 203 360 610 44 58 E CG 212 351 619 46 58 E CD 212 356 634 53 58 E OE1 223 354 640 54 58 E OE2 202 362 639 52 58 E C 220 377 602 42 58 E O 230 379 608 41 59 M N 219 377 589 42 59 M CA 230 378 580 42 59 M CB 224 378 566 42 59 M CG 234 378 554 47 59 M SD 243 362 552 53 59 M CE 254 367 539 45 59 M C 238 391 583 42 59 M O 250 391 586 40 60 I N 230 402 583 41 60 I CA 236 415 586 42 60 I CB 225 427 583 42 60 I CG1 223 427 568 45 60 I CD1 209 430 565 55 60 I CG2 231 440 588 42 60 I C 242 415 600 41 60 I O 253 420 601 42 61 Q N 235 410 610 41 61 Q CA 241 410 623 41 61 Q CB 231 404 633 41 61 Q CG 237 402 647 45 61 Q CD 241 416 654 51 61 Q OE1 252 419 657 52 61 Q NE2 230 423 657 53 61 Q C 254 402 623 40 61 Q O 264 406 628 42 62 Q N 254 390 617 38 62 Q CA 266 381 616 37 62 Q CB 263 368 609 37 62 Q CG 253 359 617 37 62 Q CD 259 355 631 44 62 Q OE1 271 353 632 45 62 Q NE2 250 355 641 40 62 Q C 278 388 608 35 62 Q O 289 387 612 36 63 I N 275 395 597 36 63 I CA 286 403 590 37 63 I CB 280 409 577 37 63 I CG1 276 398 567 34 63 I CD1 268 403 555 34 63 I CG2 290 419 570 37 63 I C 291 414 600 38 63 I O 303 416 601 36 64 F N 282 421 606 39 64 F CA 286 430 617 39 64 F CB 275 438 624 40 64 F CG 280 445 636 46 64 F CD1 284 459 636 49 64 F CE1 289 465 647 48 64 F CZ 292 458 659 42 64 F CE2 288 445 659 46 64 F CD2 283 439 648 44 64 F C 296 423 626 38 64 F O 307 428 629 40 65 N N 292 412 631 38 65 N CA 300 405 641 37 65 N CB 294 392 647 37 65 N CG 281 394 656 43 65 N OD1 274 385 660 47 65 N ND2 278 407 660 41 65 N C 314 402 636 37 65 N O 324 404 642 37 66 L N 314 396 624 36 66 L CA 326 391 617 34 66 L CB 322 385 603 33 66 L CG 333 380 594 35 66 L CD1 341 370 601 29 66 L CD2 327 374 581 31 66 L C 336 402 615 33 66 L O 347 400 617 34 67 F N 331 414 610 35 67 F CA 341 424 606 37 67 F CB 336 432 594 34 67 F CG 338 424 581 37 67 F CD1 327 416 577 36 67 F CE1 329 408 565 37 67 F CZ 341 408 558 39 67 F CE2 351 416 563 41 67 F CD2 350 424 575 42 67 F C 344 435 617 41 67 F O 350 446 614 41 68 S N 339 433 629 42 68 S CA 340 442 640 44 68 S CB 327 445 647 43 68 S OG 322 434 654 47 68 S C 350 438 651 45 68 S O 350 444 661 48 69 T N 357 427 648 47 69 T CA 367 421 658 47 69 T CB 370 407 655 46 69 T OG1 376 406 642 46 69 T CG2 358 398 654 45 69 T C 380 429 656 47 69 T O 383 436 646 46 70 A N 389 426 666 48 70 A CA 403 432 666 49 70 A CB 410 429 679 51 70 A C 410 426 653 49 70 A O 418 433 647 49 71 D N 407 414 650 49 71 D CA 413 407 638 48 71 D CB 409 392 638 48 71 D CG 413 386 651 52 71 D OD1 425 382 653 52 71 D OD2 405 384 660 54 71 D C 409 414 625 46 71 D O 418 416 617 46 72 S N 397 417 623 45 72 S CA 392 424 612 45 72 S CB 377 425 613 44 72 S OG 372 434 603 46 72 S C 398 438 611 46 72 S O 403 443 600 46 73 S N 398 446 622 47 73 S CA 404 459 623 49 73 S CB 402 464 637 50 73 S OG 389 470 638 54 73 S C 419 458 619 48 73 S O 424 467 612 48 74 A N 426 448 622 48 74 A CA 440 446 617 48 74 A CB 447 435 626 48 74 A C 441 442 602 48 74 A O 452 445 596 48 75 A N 431 436 596 47 75 A CA 432 431 583 45 75 A CB 424 419 581 44 75 A C 428 441 572 44 75 A O 432 439 560 45 76 W N 419 451 575 43 76 W CA 413 460 565 43 76 W CB 398 457 565 42 76 W CG 394 443 563 42 76 W CD1 388 434 572 41 76 W NE1 387 421 567 39 76 W CE2 392 422 554 41 76 W CD2 397 435 552 41 76 W CE3 403 438 539 40 76 W CZ3 404 427 530 43 76 W CH2 400 414 533 44 76 W CZ2 394 411 545 39 76 W C 415 474 568 45 76 W O 417 479 579 45 77 D N 414 482 557 45 77 D CA 416 496 558 48 77 D CB 415 503 544 47 77 D CG 416 518 544 54 77 D OD1 406 525 539 56 77 D OD2 426 524 549 60 77 D C 405 503 567 47 77 D O 393 501 564 46 78 E N 410 510 577 48 78 E CA 401 516 587 49 78 E CB 408 524 598 51 78 E CG 398 530 609 57 78 E CD 403 534 622 68 78 E OE1 394 536 631 72 78 E OE2 415 536 624 71 78 E C 390 525 581 48 78 E O 378 524 584 48 79 T N 394 533 571 46 79 T CA 384 542 564 47 79 T CB 392 551 554 47 79 T OG1 402 558 561 50 79 T CG2 383 562 549 49 79 T C 372 535 557 45 79 T O 360 539 557 45 80 L N 376 524 550 43 80 L CA 366 516 543 41 80 L CB 373 506 533 42 80 L CG 379 512 520 46 80 L CD1 385 501 511 48 80 L CD2 369 520 512 45 80 L C 357 509 553 39 80 L O 345 508 551 38 81 L N 363 503 563 37 81 L CA 355 496 574 40 81 L CB 364 490 585 39 81 L CG 370 477 583 43 81 L CD1 379 474 596 44 81 L CD2 360 465 580 41 81 L C 345 505 580 39 81 L O 334 501 582 41 82 D N 349 517 584 40 82 D CA 340 527 590 41 82 D CB 347 540 594 40 82 D CG 356 538 606 45 82 D OD1 364 548 609 45 82 D OD2 355 528 613 48 82 D C 328 530 582 40 82 D O 317 529 586 41 83 K N 331 532 569 40 83 K CA 319 534 559 40 83 K CB 325 538 545 41 83 K CG 332 552 546 46 83 K CD 343 554 534 56 83 K CE 344 569 530 62 83 K NZ 333 572 519 67 83 K C 311 521 558 40 83 K O 298 522 555 40 84 F N 318 510 558 38 84 F CA 311 497 557 38 84 F CB 322 486 557 37 84 F CG 316 472 557 39 84 F CD1 310 467 545 39 84 F CE1 306 454 544 39 84 F CZ 308 445 555 36 84 F CE2 315 449 566 40 84 F CD2 319 463 567 37 84 F C 301 495 569 38 84 F O 289 492 567 39 85 Y N 306 498 581 38 85 Y CA 297 499 593 41 85 Y CB 306 501 606 41 85 Y CG 311 487 610 42 85 Y CD1 301 478 615 53 85 Y CE1 305 465 618 52 85 Y CZ 318 461 616 55 85 Y OH 321 448 619 61 85 Y CE2 328 470 610 49 85 Y CD2 324 483 607 49 85 Y C 285 508 592 41 85 Y O 274 504 596 41 86 T N 287 520 587 42 86 T CA 276 529 584 44 86 T CB 282 542 578 44 86 T OG1 290 548 588 46 86 T CG2 271 552 577 48 86 T C 266 523 576 45 86 T O 254 524 578 45 87 E N 270 515 565 43 87 E CA 260 508 558 42 87 E CB 265 502 544 43 87 E CG 271 514 536 42 87 E CD 261 524 531 46 87 E OE1 250 520 527 47 87 E OE2 265 536 531 46 87 E C 253 496 566 43 87 E O 241 494 564 44 88 L N 260 589 574 42 88 L CA 254 478 581 42 88 L CB 264 470 588 41 88 L CG 275 462 580 41 88 L CD1 284 454 589 37 88 L CD2 269 454 570 40 88 L C 243 483 592 43 88 L O 233 476 593 42 89 Y N 245 494 599 43 89 Y CA 235 500 608 45 89 Y CB 241 513 614 43 89 Y CG 254 511 622 42 89 Y CD1 255 499 629 43 89 Y CE1 267 497 636 44 89 Y CZ 277 507 635 43 89 Y OH 289 504 642 47 89 Y CE2 276 518 628 40 89 Y CD2 264 520 621 41 89 Y C 222 503 601 47 89 Y O 212 499 607 46 90 Q N 222 509 590 50 90 Q CA 210 512 582 54 90 Q CB 214 520 569 54 90 Q CG 220 534 572 61 90 Q CD 224 541 559 69 90 Q OE1 220 537 548 72 90 Q NE2 231 552 560 71 90 Q C 202 500 578 55 90 Q O 190 500 577 54 91 Q N 210 489 576 57 91 Q CA 203 476 572 58 91 Q CB 212 469 562 58 91 Q CG 214 475 549 60 91 Q CD 223 467 539 64 91 Q OE1 218 458 531 67 91 Q NE2 236 470 539 63 91 Q C 199 467 584 58 91 Q O 192 457 581 59 92 L N 203 470 596 59 92 L CA 201 460 607 60 92 L CB 209 464 619 60 92 L CG 223 459 622 63 92 L CD1 229 467 637 66 92 L CD2 223 444 625 62 92 L C 187 458 612 62 92 L O 183 446 616 61 93 N N 179 469 613 63 93 N CA 166 468 620 65 93 N CB 168 469 635 63 93 N CG 155 468 643 64 93 N OD1 145 463 638 63 93 N ND2 156 471 656 62 93 N C 157 480 614 67 93 N O 153 489 621 67 94 D N 154 479 601 69 94 D CA 147 490 594 71 94 D CB 153 492 580 71 94 D CG 153 480 572 72 94 D OD1 150 481 560 74 94 D OD2 155 468 577 72 94 D C 132 488 593 72 94 D O 125 496 587 73 95 L N 127 478 600 74 95 L CA 112 476 602 76 95 L CB 108 484 615 76 95 L CG 116 483 627 75 95 L CD1 116 497 634 75 95 L CD2 112 472 637 74 95 L C 103 480 590 77 95 L O 98 491 589 77 96 E N 103 470 580 78 96 E CA 95 472 568 79 96 E CB 102 464 556 79 96 E CG 107 451 560 81 96 E CD 122 451 565 83 96 E OE1 130 446 558 84 96 E OE2 124 455 577 82 96 E C 81 466 569 79 96 E O 78 458 578 79 112 A N 109 307 618 61 112 A CA 120 305 609 60 112 A CB 122 318 600 60 112 A C 133 301 617 59 112 A O 144 304 612 59 113 A N 132 295 629 57 113 A CA 144 292 637 56 113 A CB 140 287 650 56 113 A C 155 283 631 55 113 A O 167 285 634 54 114 D N 151 273 623 54 114 D CA 161 264 617 52 114 D CB 154 252 611 53 114 D CG 150 241 621 59 114 D OD1 140 234 619 66 114 D OD2 156 239 632 66 114 D C 169 272 606 49 114 D O 180 269 605 48 115 S N 162 281 599 49 115 S CA 168 289 589 50 115 S CB 157 296 582 50 115 S OG 153 290 570 57 115 S C 178 299 595 49 115 S O 189 301 589 49 116 I N 174 306 605 46 116 I CA 183 315 613 45 116 I CB 176 321 625 46 116 I CG1 169 333 619 46 116 I CD1 158 339 630 55 116 I CG2 186 326 636 44 116 I C 195 307 617 44 116 I O 207 312 616 43 117 L N 193 295 623 42 117 L CA 204 287 627 41 117 L CB 199 275 635 42 117 L CG 210 264 639 45 117 L CD1 221 268 650 50 117 L CD2 203 250 642 50 117 L C 214 282 616 40 117 L O 226 281 617 40 118 A N 208 280 604 39 118 A CA 216 277 592 38 118 A CB 206 275 579 36 118 A C 225 288 589 37 118 A O 237 286 586 38 119 V N 220 300 590 38 119 V CA 229 312 588 38 119 V CB 220 325 587 40 119 V CG1 229 337 585 36 119 V CG2 211 325 575 38 119 V C 240 313 598 37 119 V O 251 315 595 37 120 R N 237 311 611 37 120 R CA 247 312 621 38 120 R CB 240 310 635 39 120 R CG 232 321 640 43 120 R CD 226 320 654 46 120 R NE 218 332 656 51 120 R CZ 208 333 665 53 120 R NH1 204 322 672 52 120 R NH2 201 344 666 52 120 R C 258 301 620 38 120 R O 269 304 622 38 121 K N 253 289 616 36 121 K CA 263 278 614 36 121 K CB 255 265 611 36 121 K CG 250 259 623 39 121 K CD 243 245 620 46 121 K CE 238 238 633 51 121 K NZ 230 225 632 62 121 K C 272 282 602 34 121 K O 283 278 603 34 122 Y N 267 288 592 33 122 Y CA 276 292 581 32 122 Y CB 267 299 571 31 122 Y CG 274 307 560 34 122 Y CD1 282 301 550 33 122 Y CE1 288 309 541 33 122 Y CZ 287 323 541 37 122 Y OH 293 331 532 35 122 Y CE2 279 329 551 40 122 Y CD2 273 321 560 33 122 Y C 287 302 586 32 122 Y O 299 301 583 30 123 F N 283 311 594 31 123 F CA 293 320 600 32 123 F CB 287 333 606 31 123 F CG 283 343 595 32 123 F CD1 292 352 591 33 123 F CE1 289 361 581 33 123 F CZ 276 360 575 33 123 F CE2 267 351 579 29 123 F CD2 270 342 589 30 123 F C 302 314 610 31 123 F O 314 318 612 32 124 Q N 297 304 617 32 124 Q CA 306 296 625 33 124 Q CB 298 285 633 34 124 Q CG 291 291 644 38 124 Q CD 280 281 650 47 124 Q OE1 279 270 646 45 124 Q NE2 273 286 660 49 124 Q C 317 289 617 32 124 Q O 329 288 622 32 125 R N 313 284 606 31 125 R CA 324 278 597 31 125 R CB 317 270 585 30 125 R CG 308 259 589 34 125 R CD 303 250 578 33 125 R NE 294 257 569 34 125 R CZ 281 258 570 33 125 R NH1 275 253 581 31 125 R NH2 274 263 560 30 125 R C 334 288 593 29 125 R O 345 285 592 30 126 I N 329 300 589 29 126 I CA 338 311 585 30 126 I CB 330 323 580 30 126 I CG1 325 321 566 32 126 I CD1 315 332 561 34 126 I CG2 340 336 579 27 126 I C 348 315 596 32 126 I O 360 316 594 32 127 T N 342 317 609 32 127 T CA 350 320 620 36 127 T CB 340 322 632 36 127 T OG1 332 333 628 43 127 T CG2 347 328 643 44 127 T C 361 309 623 35 127 T O 372 313 626 35 128 L N 357 297 623 35 128 L CA 366 286 626 36 128 L CB 358 272 626 37 128 L CG 367 261 629 41 128 L CD1 372 262 645 43 128 L CD2 361 247 627 45 128 L C 377 285 615 37 128 L O 388 283 619 36 129 Y N 373 287 603 34 129 Y CA 383 288 592 33 129 Y CB 376 290 578 33 129 Y CG 385 294 567 30 129 Y CD1 390 284 558 30 129 Y CE1 398 287 547 32 129 Y CZ 401 301 544 34 129 Y OH 409 304 534 33 129 Y CE2 395 311 553 32 129 Y CD2 387 307 564 31 129 Y C 393 299 594 31 129 Y O 405 296 593 33 130 L N 389 311 597 33 130 L CA 399 322 600 35 130 L CB 392 335 603 33 130 L CG 387 341 590 38 130 L CD1 377 352 595 33 130 L CD2 398 347 581 33 130 L C 409 318 612 36 130 L O 421 321 612 35 131 K N 403 312 622 39 131 K CA 410 309 634 41 131 K CB 401 304 645 42 131 K CG 408 299 658 49 131 K CD 399 294 669 55 131 K NE 407 294 682 61 131 K CZ 398 293 694 66 131 K C 420 298 631 41 131 K O 432 300 633 41 132 E N 416 287 624 42 132 E CA 426 277 620 43 132 E CB 419 265 615 44 132 E CG 410 259 626 52 132 E CD 403 246 623 62 132 E OE1 398 243 612 63 132 E OE2 403 237 633 67 132 E C 436 282 610 43 132 E O 448 277 610 43 133 K N 433 292 602 41 133 K CA 443 297 592 42 133 K CB 436 303 580 41 133 K CG 429 293 571 41 133 K CD 439 285 563 42 133 K NE 432 276 554 41 133 K CZ 442 271 545 42 133 K C 451 309 598 42 133 K O 460 315 591 41 134 K N 449 312 611 42 134 K CA 456 322 619 44 134 K CB 470 317 622 44 134 K CG 471 303 627 49 134 K CD 484 300 635 59 134 K NE 486 285 637 63 134 K CZ 499 280 642 68 134 K C 455 336 613 44 134 K O 464 344 614 44 135 Y N 443 339 608 42 135 Y CA 439 351 603 41 135 Y CB 437 362 613 41 135 Y CG 427 357 624 43 135 Y CD1 431 350 635 45 135 Y CE1 422 345 644 48 135 Y CZ 408 348 642 46 135 Y OH 399 344 651 45 135 Y CE2 404 356 631 45 135 Y CD2 413 360 622 44 135 Y C 450 356 592 39 135 Y O 453 368 592 39 136 S N 454 347 584 38 136 S CA 464 351 574 40 136 S CB 469 339 567 41 136 S OG 459 332 559 42 136 S C 457 361 564 41 136 S O 445 361 562 40 137 P N 466 369 556 41 137 P CA 460 377 545 41 137 P CB 473 383 539 41 137 P CG 482 385 552 43 137 P CD 480 371 559 41 137 P C 452 369 535 39 137 P O 442 374 531 38 138 C N 457 357 532 38 138 C CA 450 348 522 39 138 C CB 459 337 519 38 138 C SG 470 341 506 46 138 C C 436 344 527 38 138 C O 427 342 520 37 139 A N 436 340 540 35 139 A CA 423 335 546 34 139 A CB 426 329 560 32 139 A C 413 347 546 33 139 A O 402 344 543 33 140 W N 418 359 549 32 140 W CA 409 370 550 34 140 W CB 415 382 555 34 140 W CG 413 384 570 38 140 W CD1 422 384 581 40 140 W NE1 415 386 593 37 140 W CE2 402 387 591 37 140 W CD2 400 386 576 36 140 W CE3 387 387 571 34 140 W CZ3 376 390 580 34 140 W CH2 378 391 594 34 140 W CZ2 391 389 600 38 140 W C 404 374 536 33 140 W O 392 378 534 32 141 E N 412 372 526 33 141 E CA 408 374 512 32 141 E CB 420 374 502 33 141 E CG 415 374 487 31 141 E CD 405 386 484 33 141 E OE1 405 397 491 33 141 E OE2 399 385 474 34 141 E C 398 364 507 33 141 E O 388 367 501 33 142 V N 401 351 511 32 142 V CA 390 341 508 31 142 V CB 394 327 513 30 142 V CG1 383 317 513 30 142 V CG2 406 322 503 31 142 V C 377 345 514 31 142 V O 366 343 508 32 143 V N 377 350 526 30 143 V CA 365 352 534 29 143 V CB 367 354 549 30 143 V CG1 355 361 556 27 143 V CG2 370 339 555 27 143 V C 358 365 528 30 143 V O 346 365 526 31 144 R N 366 375 525 30 144 R CA 361 388 519 30 144 R CB 372 398 517 29 144 R CG 367 413 512 31 144 R CD 378 420 503 33 144 R NE 381 412 492 31 144 R CZ 374 411 481 36 144 R NH1 363 419 479 35 144 R NH2 378 402 471 38 144 R C 353 384 506 31 144 R O 341 388 504 31 145 A N 359 376 497 34 145 A CA 353 373 484 35 145 A CB 363 365 475 35 145 A C 341 365 487 34 145 A O 330 367 480 36 146 E N 341 356 496 34 146 E CA 330 348 500 33 146 E CB 334 337 511 33 146 E CG 323 331 518 33 146 E CD 316 321 509 40 146 E OE1 304 318 512 35 146 E OE2 322 316 500 39 146 E C 318 356 505 33 146 E O 306 354 501 32 147 I N 321 366 514 33 147 I CA 310 374 520 34 147 I CB 315 383 532 33 147 I CG1 319 373 543 35 147 I CD1 308 364 548 38 147 I CG2 305 393 536 33 147 I C 305 383 508 35 147 I O 293 385 507 36 148 M N 314 389 500 37 148 M CA 309 397 489 40 148 M CB 321 402 481 39 148 M CG 319 416 478 47 148 M SD 329 419 464 55 148 M CE 317 430 456 54 148 M C 298 389 480 41 148 M O 287 394 478 41 149 R N 302 377 477 41 149 R CA 293 367 470 43 149 R CB 300 354 467 44 149 R CG 309 354 455 45 149 R CG 294 345 457 47 149 R CD 315 340 453 48 149 R CD 297 329 458 51 149 R NE 329 340 452 49 149 R NE 297 326 472 56 149 R CZ 338 335 461 50 149 R CZ 289 317 478 57 149 R NH1 334 329 471 50 149 R NH1 280 310 472 56 149 R NH2 351 336 458 52 149 R NH2 290 316 491 56 149 R C 280 364 478 43 149 R O 270 365 472 44 150 S N 281 360 490 42 150 S CA 269 355 496 43 150 S CB 272 346 508 44 150 S OG 279 354 518 48 150 S C 260 367 501 44 150 S O 248 366 503 44 151 F N 266 379 503 44 151 F CA 258 391 506 46 151 F CB 267 402 512 45 151 F CG 260 414 515 47 151 F CD1 252 416 526 48 151 F CE1 244 427 529 49 151 F CZ 244 438 520 51 151 F CE2 252 437 508 52 151 F CD2 259 425 506 47 151 F C 250 396 494 49 151 F O 237 397 495 47 152 S N 256 397 482 51 152 S CA 249 399 469 54 152 S CB 257 396 457 55 152 S OG 268 405 456 58 152 S C 237 389 469 55 152 S O 226 393 466 56 153 L N 240 376 471 58 153 L CA 229 366 469 59 153 L CB 235 352 470 59 153 L CG 243 346 459 59 153 L CD1 251 333 464 58 153 L CD2 234 342 447 58 153 L C 218 367 479 60 153 L O 207 363 476 61 154 S N 221 371 492 61 154 S CA 210 372 502 62 154 S CB 216 373 516 62 154 S OG 225 384 517 62 154 S C 202 385 498 64 154 S O 190 386 503 62 155 T N 207 393 490 66 155 T CA 202 407 487 69 155 T CB 214 416 488 69 155 T OG1 215 422 501 69 155 T CG2 213 428 478 70 155 T C 194 406 474 71 155 T O 182 407 474 72 156 N N 201 405 463 73 156 N CA 195 405 449 74 156 N CB 205 403 438 75 156 N CG 217 413 439 78 156 N OD1 226 412 430 81 156 N ND2 218 422 448 78 156 N C 183 395 448 75 156 N O 184 383 451 75 1 X ZN −21 −79 311 39 2 X ZN 186 256 536 50 3 X ZN 374 545 626 66 4 X ZN 153 448 566 66 1 X O −22 −96 310 59 2 X O −33 69 334 42 3 X O 267 131 442 33 4 X O 423 411 502 33 5 X O −22 −37 332 32 6 X O 56 73 351 35 7 X O 407 389 448 31 8 X O 148 118 391 33 9 X O 415 471 529 38 10 X O 129 82 215 36 11 X O 221 127 389 36 12 X O 177 70 390 27 13 X O 369 36 556 38 14 X O 227 249 517 36 15 X O 227 116 304 35 16 X O 330 92 437 37 17 X O 99 16 222 30 18 X O 160 190 390 37 19 X O 478 390 450 36 20 X O 332 131 584 38 21 X O 147 150 438 37 22 X O 240 231 504 33 23 X O 362 330 484 39 24 X O 346 −14 519 49 25 X O 159 149 314 31 26 X O 168 135 337 33 27 X O 234 −18 396 37 28 X O 245 249 537 34 29 X O 169 144 291 41 30 X O 331 221 520 41 31 X O 112 206 308 43 32 X O 65 28 201 41 33 X O 246 265 573 35 34 X O 328 237 612 35 35 X O 80 85 360 33 36 X O −16 23 377 29 37 X O −13 −65 383 42 38 X O 227 251 558 40 39 X O 285 240 605 33 40 X O −39 −21 344 32 41 X O 335 245 562 44 42 X O 350 151 594 43 43 X O 291 88 608 36 44 X O 382 37 513 42 45 X O 21 19 356 40 46 X O 202 265 465 40 47 X O 62 207 374 46 48 X O 58 3 206 39 49 X O 299 181 578 43 50 X O 481 294 470 50 51 X O 434 398 613 44 52 X O 360 422 447 40 53 X O 27 61 198 45 54 X O 309 237 542 43 55 X O 433 413 547 42 56 X O 34 46 349 45 57 X O 75 193 297 47 58 X O −20 65 385 39 59 X O 257 91 384 45 60 X O 15 −126 370 49 61 X O 387 46 535 37 62 X O 277 −19 289 46 63 X O 304 266 493 43 64 X O −13 96 345 47 65 X O 372 297 482 42 66 X O 224 261 485 45 67 X O −8 −15 355 39 68 X O 129 53 388 37 69 X O 288 245 472 37 70 X O 483 346 534 44 71 X O 310 183 605 49 72 X O 297 363 625 43 73 X O 238 114 228 49 74 X O 436 384 403 35 75 X O 141 295 479 46 76 X O 117 60 568 61 77 X O −11 −44 364 42 78 X O 368 386 626 38 79 X O 161 97 403 50 80 X O 391 61 450 41 81 X O 325 120 427 58 82 X O 150 73 393 43 83 X O 413 311 466 41 84 X O −35 53 401 39 85 X O 344 212 496 47 86 X O 236 136 347 47 87 X O 229 106 372 44 88 X O 390 525 449 47 89 X O 305 328 645 46 90 X O 176 310 462 58 91 X O 320 290 496 45 92 X O 436 401 526 38 93 X O 346 −22 443 47 94 X O 356 260 588 51 95 X O 135 455 614 47 96 X O 177 171 310 43 97 X O 359 293 660 49 98 X O 10 159 319 58 99 X O 215 152 384 47 100 X O 323 155 579 40 101 X O 361 232 514 50 102 X O 377 337 641 42 103 X O −28 25 400 51 104 X O 258 102 362 47 105 X O 408 467 463 55 106 X O 226 −35 418 50 107 X O 305 64 612 51 108 X O 267 133 248 50 109 X O 320 191 426 42 110 X O 276 324 640 43 111 X O 220 240 592 50 112 X O 193 245 610 58 113 X O 337 378 453 49 114 X O 76 199 400 45 115 X O 426 253 530 48 116 X O 290 252 629 46 117 X O 477 306 445 44 118 X O 470 310 549 53 119 X O 357 220 577 52 120 X O 422 145 424 49 121 X O 284 134 425 45 122 X O 453 403 594 53 123 X O −5 143 190 65 124 X O 402 73 427 53 125 X O 260 169 430 38 126 X O 452 475 446 47 127 X O 233 117 623 46 128 X O 346 240 594 53 129 X O 86 215 307 54 130 X O 318 312 661 45 131 X O 334 291 651 46 132 X O 164 163 274 45 133 X O 240 188 597 48 134 X O 125 91 559 52 135 X O 62 94 176 58 136 X O 247 118 328 48 137 X O 442 128 531 48 138 X O 244 145 292 58 139 X O 299 142 603 66 140 X O 237 158 398 49 141 X O 320 156 396 59 142 X O 145 157 202 46 143 X O 100 174 185 57 144 X O 305 174 410 48 145 X O 87 192 440 51 146 X O 275 194 581 45 147 X O 152 −290 226 58 148 X O 128 211 519 55 149 X O 80 213 359 53 150 X O 101 218 434 65 151 X O 103 223 269 57 152 X O 317 255 626 48 153 X O 250 260 493 49 154 X O 292 292 502 57 155 X O 187 −196 200 61 156 X O 442 314 655 48 158 X O 33 −130 300 49 159 X O 471 364 636 59 160 X O 250 385 672 49 161 X O 236 −97 301 58 162 X O 459 415 527 50 163 X O 268 −67 239 53 164 X O 223 −64 445 49 165 X O 26 −48 166 50 166 X O 185 494 609 52 167 X O 209 −48 488 47 168 X O 428 455 451 52 169 X O 300 −33 429 51 170 X O −21 −19 311 30 171 X O 135 12 164 55 173 X O 119 22 499 53 174 X O 136 30 404 55 175 X O 406 26 529 48 177 X O 407 45 466 59 178 X O 403 39 496 58 179 X O −21 48 311 49 180 X O 140 59 519 48 181 X O 2 60 196 48 182 X O 280 81 391 50 183 X O 49 −3 182 50 184 X O 151 146 227 37 185 X O 312 14 609 52 186 X O −6 82 260 61

Example 12 Crystallographic Analysis of Flight Derived Crystal Experiments (Form 1)

Prior to data collection, crystals were washed with the reservoir solution of the crystallization setup and transferred into the same solution with 25% glycerol added. The crystals were then flash-cooled in a nitrogen stream at 95 K or in liquid nitrogen. X-ray diffraction was collected at CHESS equipped with an ADSC Quantum 210 detector. Data were integrated and scaled using the HKL package.

Data collection statistics: Resolution 20.0 − 3.90 Å No. of collected reflections 40838 No. of unique reflections (F >= 0) 11959 R-sym 12.4% Percent of theoretical (l/s >= 1) 94.1% Unit Cell a = 62.405 Å, b = 76.169 Å, c = 150.453 Å, α = 90° β = 91.67°, γ = 90° Space Group P2₁ (Number 4) Asymmetric unit 6 molecule

Example 13 Structure Determination of Flight Derived Crystals (Form1)

The crystal structure was solved using molecular replacement using the search models 1 RH2 from the PDB. Refinement was done using the program CNX.

Theoretical number of reflections 11959 Resolution Limits 20.0 − 3.9 Å Number of unobserved reflections 749 (5.9%) Number of reflections in working set 11959 (94.1%) Number of reflections in test set 768 (6.0%) Number of protein residues 780 Number of solvent atoms 4 (ZN) R-factor 0.321 R-free 0.335

Example 14 Production of Zn²⁺ Dimerized Preferentially PEGylated PEG-Interferon Alpha 2b

In this example, zinc dimerized interferon alpha 2b is expressed first, then the dimers are PEGylated. The PEGylated dimers comprise no significant PEGylation on His 34; rather, the PEG moieties are distributed on residues on Lys 49, Lys 121, Lys 31, His 7 and Cys 1.

Zinc Dimerized Interferon Alpha 2b Expression and Purification.

The interferon-alpha 2 employed is recombinant interferon-alpha 2b expressed in E. coil as described in Weissmann, et al. Science, 209, 1342 (1980). The cells are cultured, harvested and extracted as previously described in U.S. Pat. No. 4,315,852. Bacteria altered by recombinant techniques also produce contaminants and structural isoforms of the protein intended to be produced. These contaminants and isoforms include oligermeric proteins and reduced protein isoforms (see U.S. Pat. No. 4,765,903 to D'Andrea et al.), cell debris and viruses (see U.S. Pat. No. 4,732,683 to Georgiadis et al.). The extracts can be purified by a combination of conventional purification steps including cation, anion exchange chromatography steps using chromatographic media such as S-sepharose and DEAE CL-6B sepharose from Amersham Biosciences, Piscataway, N.J., USA using a salt gradient 0-0.25M sodium chloride elution and a size exclusion chromatography step using chromatographic media such as a HPSEC Superdex 200 HR Hiload column 26×60 cm, 34 um particle size, Amersham Biosciences, Piscataway, N.J., USA) The resulting purified interferon-alpha 2b is dialyzed versus double glass distilled water and lyophilized to amorphous solid.

Preparation of SC PEG 5000-interferon-alpha 2b Conjugate.

Solid SC-PEG 5000 (Zalipsky et al., Biotechnol. Appl. Biochem 15, 100-114 (1992)) succinimidyl carbonyl methoxypolyethylene glycol 5000 is added 20 molar equivalents to 10 mg of solid interferon-alpha 2b dissolved in 10 ml of 30 mM sodium acetate, 50 mM sodium chloride, pH and temperature is maintained at 4° C. for 18 hours. The resulting SC-PEG5000-interferon-alpha 2b conjugate can be purified on a HPSEC Superdex 200 HR Hiload, 26×60 cm, 34 um particle size particle size; Amersham Biosciences, Piscataway, N.J., USA as described in Grace et al. (2005) J. Biol. Chem. 280 6327-6336.

* * *

The present invention is not to be limited in scope by the specific embodiments described herein. Indeed, various modifications of the invention in addition to those described herein will become apparent to those skilled in the art from the foregoing description and the accompanying figures. Such modifications are intended to fall within the scope of the appended claims.

Patents, patent applications, publications, product descriptions, and protocols are cited throughout this application, the disclosures of which are incorporated herein by reference in their entireties for all purposes. 

We claim:
 1. A crystalline composition comprising a crystal of an interferon-alpha 2b-Zn²⁺-interferon-alpha 2b complex in space group C2 comprising unit cell dimensions a=114.7 Å, b=98.4 Å, c=62.4 Å and α=90°, β=93.9°; γ=90°; wherein said interferon-alpha 2b of the complex comprises the amino acid sequence set forth in SEQ ID NO:
 1. 2. The crystalline composition of claim 1 wherein the interferon-alpha 2b-Zn²⁺-interferon-alpha 2b complex has a three dimensional structure having structural coordinates comprising a root mean square deviation of common residue backbone atoms or alpha carbon atoms of less than 1.5 Å when superimposed on backbone atoms or alpha carbon atoms of a three dimensional structure having the structural coordinates of Table 3 or
 4. 3. The crystalline composition of claim 2 wherein the interferon-alpha 2b-Zn²⁺-interferon-alpha 2b complex has a three dimensional structure having the structural coordinates of Table 3 or
 4. 4. The crystalline composition of claim 1 wherein said crystalline composition diffracts X-rays to 1.95 Å resolution or a lower number.
 5. The crystalline composition of claim 1 wherein said crystalline composition comprises a particle diameter of from 1 μm to 70 μm or from 0.5 μm to 7 μm.
 6. The crystalline composition of claim 1, further comprising a pharmaceutically acceptable carrier.
 7. An injectable device comprising the crystalline composition of claim
 6. 8. The crystalline composition of claim 6 which is a sustained release formulation.
 9. The crystalline composition of claim 6 which is suitable for pulmonary delivery.
 10. A method for treating a host infected with hepatitis C virus, comprising administering to said host a therapeutically effective amount of the crystalline composition of claim
 1. 11. The method of claim 10 wherein the crystalline composition is administered by inhalation.
 12. The method of claim 10 wherein the crystalline composition is in a sustained-release formulation. 